A0A087Y979_POEFO Loading...

X-box-binding protein 1

AlphaFold DB , UniProt , Accession A0A087Y979, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 387 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.3Very low47.1Very low228 Ų228122.5 Ų122.5100%1.12380%0.798SS**  0116.90-178.3174.2174.900107.7
2V40.4Very low47.8Very low115 Ų115126.6 Ų126.670%0.69779%0.794SS**  trans-103.5126.6-179.7-179.70000108.4V4V2-V4 HydrophobicContact CG1-CG2 4.11Å
3V49.3Very low48.6Very low112 Ų112125.7 Ų125.768%0.67979%0.786SS**  trans-102.2119172.3179.50000107.8T5V3-T5 HydrophobicContact CG1-CG2 4.3Å
4V45.3Very low48.6Very low127 Ų127127.4 Ų127.477%0.7779%0.786SS**  trans-103.8111.1174-178.30000108.1V2V2-V4 HydrophobicContact CG1-CG2 4.11Å
5T49.2Very low48.9Very low126 Ų126129.4 Ų129.477%0.77379%0.789SS**  trans-94.9124.7170.447.20000109.8V3 G7V3-T5 HydrophobicContact CG1-CG2 4.3Å; T5-G7 PolarHBondContact O-N 3.41Å
6A46.9Very low49.2Very low114 Ų114131.3 Ų131.394%0.94279%0.791SS**  trans-84.9108.9175.400000109.9
7G41.5Very low49.2Very low63 Ų63130.1 Ų130.165%0.64979%0.789SS**  trans-139.4140.817200000109.7T5 G9T5-G7 PolarHBondContact O-N 3.41Å; G7-G9 PolarHBondContact O-N 3.43Å
8A53.5Low48.5Very low118 Ų118126.1 Ų126.198%0.97578%0.779SS**SBendtrans-70.1125.3-174.600000111.7
9G52.1Low48.4Very low65 Ų65130.4 Ų130.467%0.6779%0.786SS**SBendtrans101.9105.3174.900000114.5G7G7-G9 PolarHBondContact O-N 3.43Å
10S50.7Low48Very low87 Ų87133.4 Ų133.461%0.60879%0.791SS**  trans64108.4178.971.50000116.1K12S10-K12 PolarHBondContact O-N 3.46Å; S10-K12 WeakPolarHBondContact OG-CE 3.46Å
11H49Very low47.6Very low193 Ų193133 Ų13389%0.89480%0.795SS**  trans-68117.7169-60.3-78.5000110
12K55.8Low47.4Very low171 Ų171125.6 Ų125.674%0.74378%0.777SS**  trans-113.295.4177.4-67.7179.5-175.81730110S10 L14S10-K12 PolarHBondContact O-N 3.46Å; S10-K12 WeakPolarHBondContact OG-CE 3.46Å; K12-L14 PolarHBondContact O-N 3.48Å
13V57.2Low47.2Very low115 Ų115125.4 Ų125.470%0.69778%0.781SS**  trans-79.4107.8177.2-173.80000109.3L15V13-L15 HydrophobicContact CG1-CD1 4.01Å
14L49.5Very low46.9Very low150 Ų150124.9 Ų124.979%0.78578%0.782SS**  trans-96.1101.2174.5-80.4162.3000110.1K12 I16K12-L14 PolarHBondContact O-N 3.48Å; L14-I16 PolarHBondContact O-N 3.4Å
15L52.9Low46.7Very low157 Ų157125.1 Ų125.182%0.82279%0.79SS**  trans-73.8102.5165.2-87.690.3000109.6V13 S17V13-L15 HydrophobicContact CG1-CD1 4.01Å; L15-S17 PolarHBondContact O-N 3.36Å
16I53Low46Very low160 Ų160122.4 Ų122.482%0.82179%0.787SS**  trans-78.3104.1164.2-57.9177000107.2L14L14-I16 PolarHBondContact O-N 3.4Å
17S49.3Very low46Very low110 Ų110122.5 Ų122.577%0.76978%0.781SS**  trans-66.4134.1174.7-168.90000110.5L15 K19L15-S17 PolarHBondContact O-N 3.36Å; S17-K19 PolarHBondContact O-N 3.48Å
18G37.5Very low45.9Very low59 Ų59128.6 Ų128.661%0.60879%0.792SS**  trans-67125.7-179.500000111.7Q20G18-Q20 PolarHBondContact O-N 3.19Å; G18-Q20 VanDerWaalsContact O-N 3.07Å
19K46.1Very low45.4Very low207 Ų207128.4 Ų128.490%0.978%0.779SS**  trans-7496.9174.9-173.3-177.3179.8-173.20109.4S17S17-K19 PolarHBondContact O-N 3.48Å
20Q40.7Very low44.7Very low190 Ų190130 Ų13089%0.88879%0.785SS**  trans-65.5138.3174.7-50.9-173.639.700109.9G18G18-Q20 PolarHBondContact O-N 3.19Å; G18-Q20 VanDerWaalsContact O-N 3.07Å
21S39.8Very low44.4Very low126 Ų126135.2 Ų135.288%0.88179%0.793SS**  trans-140.8103.91791780000108.9
22G36.6Very low44.1Very low73 Ų73131.2 Ų131.275%0.75379%0.787SS**  trans157.9113.6177.200000114.1
23S35.3Very low43.6Very low111 Ų111133.6 Ų133.678%0.77679%0.791SS**  trans56.1121.4147.1-1420000122.7
24S43.2Very low43.2Very low100 Ų100136.6 Ų136.670%0.69980%0.798SS**  58129.6129.164.60000123.1
25S41Very low43.2Very low133 Ų133136.8 Ų136.893%0.9380%0.798SS**  trans73161.8157.5-154.80000117.5
26G33.6Very low42.7Very low69 Ų69134.5 Ų134.571%0.71180%0.795SS**  trans97.290.2178.700000114.6Q28G26-Q28 PolarHBondContact O-N 3.37Å
27S46.9Very low42.3Very low116 Ų116134 Ų13481%0.81179%0.793SS**  trans-73.7116.6164.344.90000110.5
28Q39.8Very low42Very low191 Ų191134.9 Ų134.989%0.89379%0.794SS**  trans-158.8135.1162.6-119.9160.288.300113.7G26 A30G26-Q28 PolarHBondContact O-N 3.37Å; Q28-A30 PolarHBondContact O-N 3.35Å; Q28-A30 VanDerWaalsContact O-N 3.1Å
29T42.7Very low42.3Very low113 Ų113139.1 Ų139.169%0.69380%0.802SS**  trans-83.381-177.939.60000111.1Y31T29-Y31 WeakPolarHBondContact O-CD2 3.39Å; T29-Y31 PolarHBondContact O-N 3.49Å
30A38.9Very low41.9Very low98 Ų98135.3 Ų135.381%0.8180%0.798SS**  trans-64.692.1178.300000112.5Q28 S32Q28-A30 PolarHBondContact O-N 3.35Å; Q28-A30 VanDerWaalsContact O-N 3.1Å; A30-S32 PolarHBondContact O-N 3.22Å
31Y43.2Very low41.6Very low198 Ų198132.3 Ų132.378%0.77680%0.798SS**  trans-64.692.2174-71.8-86.9000111.1T29 R33T29-Y31 WeakPolarHBondContact O-CD2 3.39Å; T29-Y31 PolarHBondContact O-N 3.49Å; Y31-R33 PolarHBondContact O-N 3.47Å
32S43Very low41.7Very low109 Ų109130.7 Ų130.776%0.76279%0.792SS**  trans-69.177.6174.6-167.10000111.3A30 Q34A30-S32 PolarHBondContact O-N 3.22Å; S32-Q34 PolarHBondContact O-N 3.31Å
33R46Very low42Very low221 Ų221131.7 Ų131.783%0.83479%0.793SS**  trans-77.9103.3-179.5-165.6-177.2-66.8-109.17109.2Y31 I35Y31-R33 PolarHBondContact O-N 3.47Å; R33-I35 PolarHBondContact O-N 3.47Å
34Q48.5Very low42.1Very low178 Ų178132.5 Ų132.583%0.83280%0.799SS**  trans-68.7110.9-174.6-57.8174.119.200110.5S32 S36S32-Q34 PolarHBondContact O-N 3.31Å; Q34-S36 PolarHBondContact O-N 3.06Å
35I48.9Very low42.3Very low154 Ų154136.8 Ų136.879%0.7981%0.808SS**  trans-72.6114.8178.3-59.1174000108.8R33R33-I35 PolarHBondContact O-N 3.47Å
36S41.7Very low42.1Very low109 Ų109136.6 Ų136.676%0.76280%0.801SS**  trans-93.9103.8179.4-164.50000110.4Q34 V38Q34-S36 PolarHBondContact O-N 3.06Å; S36-V38 PolarHBondContact O-N 3.13Å
37L45.4Very low42.4Very low148 Ų148138.7 Ų138.778%0.77581%0.805SS**  trans-79.6115174.1-68.5171000110
38V43.6Very low42.3Very low130 Ų130137.8 Ų137.879%0.78880%0.798SS**  trans-91.7114.3172.2179.10000108.7S36S36-V38 PolarHBondContact O-N 3.13Å
39L42.8Very low42.5Very low148 Ų148135.4 Ų135.478%0.77579%0.792SS**PPolyproline II helixtrans-89.8131.5167.2-89.272.4000109.7
40P38.7Very low42.6Very low127 Ų127135.3 Ų135.383%0.82580%0.796SS**PPolyproline II helixtrans-73.8125166.730.6-31.6000109.7
41S34.6Very low42.6Very low126 Ų126138.1 Ų138.188%0.88180%0.797SS**PPolyproline II helixtrans-94.1128.5170.9-167.90000109.8
42A41.6Very low42.9Very low92 Ų92134.5 Ų134.576%0.7680%0.801SS**PPolyproline II helixtrans-95.9142.1-175.600000112.6
43A41.7Very low43.3Very low94 Ų94136.6 Ų136.678%0.77780%0.804SS**  trans52.4107.3158.400000119.3
44S37.3Very low43.3Very low128 Ų128131.7 Ų131.790%0.89580%0.798SS**  -154.4133.8119.4-78.50000109.5
45Q47.5Very low43.2Very low190 Ų190128.6 Ų128.689%0.88880%0.796SS**  trans-104.8155.6177.1-66.3179-36.100110.3
46V38.1Very low43.3Very low130 Ų130129 Ų12979%0.78881%0.805SS**  trans162.9135.3131.3153.20000110.6
47S38.7Very low44.3Very low113 Ų113125.8 Ų125.879%0.7979%0.79SS**  trans63.2154.3164.7700000119
48S45.5Very low45.1Very low96 Ų96124.5 Ų124.567%0.67179%0.79SS**  cis-160.4141-41.6-1420000109.1
49D43.3Very low45.9Very low141 Ų141124.1 Ų124.175%0.75479%0.791SS**  trans59.6140.6156.3-53.9-60.2000122.7
50S44.8Very low46.9Very low111 Ų111123.1 Ų123.178%0.77679%0.79SS**  trans89.8139154.3-61.50000122.4
51D39.8Very low48.4Very low158 Ų158128.1 Ų128.185%0.84579%0.793SS**  trans67.1117.8164.3-60.2-24.9000121.5
52S48.4Very low50.1Low121 Ų121131.5 Ų131.585%0.84679%0.791SS**  trans-102.890-171.9-65.20000113.2
53N52Low51.9Low154 Ų154138.2 Ų138.282%0.82480%0.797SS**  trans-172.4131.4155.8-111.7-44000108.2
54T45.9Very low53.6Low118 Ų118141.6 Ų141.672%0.72480%0.797SS**  cis-158.2163.839.949.50000111.5
55S45.8Very low55.5Low113 Ų113145.9 Ų145.979%0.7979%0.793SS**  trans36.890.8152.5-163.30000118.2G57S55-G57 VanDerWaalsContact C-N 3.34Å; S55-G57 PolarHBondContact O-N 3.23Å
56V51.6Low56.6Low161 Ų161142.2 Ų142.298%0.97678%0.779SS**  trans-74.787.1168-177.20000109.9
57G62.9Low58.5Low43 Ų43140.6 Ų140.644%0.44377%0.77SS.*SBendtrans-129.5152165.400000110.3S55S55-G57 VanDerWaalsContact C-N 3.34Å; S55-G57 PolarHBondContact O-N 3.23Å
58P62.6Low60.6Low120 Ų120143.1 Ų143.178%0.77977%0.769SS**  trans-53.9132175.6-24.333.7000110V60P58-V60 PolarHBondContact O-N 3.27Å
59P61.2Low62.5Low123 Ų123140 Ų14080%0.79975%0.745SS**  trans-60.5106-171.922.3-33.1000109.8R61P59-R61 PolarHBondContact O-N 3.01Å
60V63.9Low64.7Low126 Ų126135.6 Ų135.676%0.76473%0.725SS**  trans-51.4115.4179.5175.90000107P58 K62P58-V60 PolarHBondContact O-N 3.27Å; V60-K62 PolarHBondContact O-N 3.48Å
61R68.8Low66.9Low233 Ų233135.4 Ų135.488%0.87972%0.721SS**  trans-65.484.9-173.4-72.9-177.8-72.1137.3-3.7109.8P59 R63P59-R61 PolarHBondContact O-N 3.01Å; R61-R63 VanDerWaalsContact C-N 3.34Å; R61-R63 PolarHBondContact O-N 2.98Å
62K69.8Low69.4Low196 Ų196135.1 Ų135.185%0.85272%0.715SS**  trans-5895.7177.8-71.3178.8-176.3175.20107.3V60 Q64V60-K62 PolarHBondContact O-N 3.48Å; K62-Q64 PolarHBondContact O-N 3.41Å; K62-Q64 VanDerWaalsContact O-N 3.1Å
63R79.6Confident71.6Confident233 Ų233133.2 Ų133.288%0.87969%0.692SS**PPolyproline II helixtrans-49.6121.1-178.9-69.6-177.8175.3-1362.3108R61 R65R61-R63 VanDerWaalsContact C-N 3.34Å; R61-R63 PolarHBondContact O-N 2.98Å; R63-R65 PolarHBondContact O-N 3.35Å; R63-R65 VanDerWaalsContact O-N 3.08Å
64Q78.1Confident73.7Confident166 Ų166129.4 Ų129.478%0.77667%0.668SS**PPolyproline II helixtrans-47.7120-177.1-177.1177-5.100109K62 L66K62-Q64 PolarHBondContact O-N 3.41Å; K62-Q64 VanDerWaalsContact O-N 3.1Å; Q64-L66 PolarHBondContact O-N 2.67Å
65R76.7Confident76Confident217 Ų217125.6 Ų125.682%0.81965%0.649SS**PPolyproline II helixtrans-60.2131.5-178.7-65.3-173.679.9-172.55.1107.1R63 T67R63-R65 PolarHBondContact O-N 3.35Å; R63-R65 VanDerWaalsContact O-N 3.08Å; R65-T67 HydrophobicContact CB-CG2 4.37Å; R65-T67 PolarHBondContact O-N 2.84Å
66L71.8Confident78.4Confident113 Ų113125.9 Ų125.959%0.59264%0.641SS**  trans-75.762.9-172.1-159.172.1000110.3Q64 H68 L69 K74Q64-L66 PolarHBondContact O-N 2.67Å; L66-H68 VanDerWaalsContact C-N 3.34Å; L66-H68 PolarHBondContact O-N 3.22Å; L66-L69 HydrophobicContact CD2-CD1 3.66Å; L66-L69 HydrophobicContact CG-CD1 4.05Å; L66-K74 WeakPolarHBondContact O-CE 3.34Å; L66-K74 PolarHBondContact O-NZ 3.23Å
67T77.7Confident80.5Confident97 Ų97124.8 Ų124.860%0.59562%0.619SS**THydrogen-bonded Turntrans-64.6-34.1-168.1430000113.1R65 L69R65-T67 HydrophobicContact CB-CG2 4.37Å; R65-T67 PolarHBondContact O-N 2.84Å; T67-L69 PolarHBondContact O-N 3.26Å
68H82.6Confident82.2Confident165 Ų165131.9 Ų131.976%0.76463%0.633SS**THydrogen-bonded Turntrans-68.713.2-177.5-48-74.7000116.2L66L66-H68 VanDerWaalsContact C-N 3.34Å; L66-H68 PolarHBondContact O-N 3.22Å
69L85.4Confident83.9Confident31 Ų31133.5 Ų133.516%0.16263%0.627CS.*SBendtrans-134.3140177.9-78164.2000109.2L66 T67 E73 K74 R77L66-L69 HydrophobicContact CD2-CD1 3.66Å; L66-L69 HydrophobicContact CG-CD1 4.05Å; T67-L69 PolarHBondContact O-N 3.26Å; L69-E73 HydrophobicContact CD2-CB 4.3Å; L69-E73 WeakPolarHBondContact CD2-OE1 3.42Å; L69-E73 WeakPolarHBondContact CD2-OE2 3.49Å; L69-K74 HydrophobicContact CB-CG 4.24Å; L69-K74 WeakPolarHBondContact O-CE 3.08Å; L69-K74 PolarHBondContact O-NZ 3.01Å; L69-R77 VanDerWaalsContact CD2-NH2 3.35Å
70S89.8Confident85.6Confident48 Ų48131.8 Ų131.834%0.33661%0.611SS.*  trans-57.7147.2174.8172.50000111.4E72 E73 K74S70-E72 PolarHBondContact O-N 3.26Å; S70-E72 PolarHBondContact OG-N 2.79Å; S70-E72 VanDerWaalsContact OG-N 3.16Å; S70-E73 WeakPolarHBondContact CB-OE2 3.32Å; S70-E73 PolarHBondContact N-OE2 2.98Å; S70-E73 PolarHBondContact O-N 3.31Å; S70-K74 WeakPolarHBondContact O-CD 3.25Å; S70-K74 WeakPolarHBondContact O-CG 3.34Å; S70-K74 PolarHBondContact O-N 3.34Å; S70-K74 VanDerWaalsContact O-N 3.08Å
71P90.2Very high87.3Confident108 Ų108133.7 Ų133.770%0.70161%0.609SS**Hα-helixtrans-49.6-35.8166.7-26.635.9000112.9A75P71-A75 PolarHBondContact O-N 3.48Å
72E93.1Very high88.7Confident152 Ų152128.1 Ų128.171%0.7160%0.597SS**Hα-helixtrans-70.7-47.9178.8-175.7173.4-16200112.4S70 K74 A75 L76S70-E72 PolarHBondContact O-N 3.26Å; S70-E72 PolarHBondContact OG-N 2.79Å; S70-E72 VanDerWaalsContact OG-N 3.16Å; E72-K74 PolarHBondContact O-N 3.4Å; E72-A75 CarbonylContact O-C 3.55Å; E72-A75 WeakPolarHBondContact O-CA 3.44Å; E72-A75 WeakPolarHBondContact O-CB 3.31Å; E72-A75 PolarHBondContact O-N 2.72Å; E72-L76 PolarHBondContact O-N 3.42Å
73E95.1Very high90.1Very high80 Ų80127.2 Ų127.237%0.37459%0.588SS.*Hα-helixtrans-58.4-38175.5-69.5177.296.400111.8L69 S70 L76 R77L69-E73 HydrophobicContact CD2-CB 4.3Å; L69-E73 WeakPolarHBondContact CD2-OE1 3.42Å; L69-E73 WeakPolarHBondContact CD2-OE2 3.49Å; S70-E73 WeakPolarHBondContact CB-OE2 3.32Å; S70-E73 PolarHBondContact N-OE2 2.98Å; S70-E73 PolarHBondContact O-N 3.31Å; E73-L76 PolarHBondContact O-N 2.76Å; E73-R77 VanDerWaalsContact O-CB 3.31Å; E73-R77 WeakPolarHBondContact O-CB 3.39Å; E73-R77 WeakPolarHBondContact O-CG 3.35Å; E73-R77 PolarHBondContact O-N 2.75Å
74K94.5Very high91Very high74 Ų74119.9 Ų119.932%0.32257%0.569SS.*Hα-helixtrans-63.7-43.1173.1-70.1158.1177.7151.30111.3L66 L69 S70 E72 R78L66-K74 WeakPolarHBondContact O-CE 3.34Å; L66-K74 PolarHBondContact O-NZ 3.23Å; L69-K74 HydrophobicContact CB-CG 4.24Å; L69-K74 WeakPolarHBondContact O-CE 3.08Å; L69-K74 PolarHBondContact O-NZ 3.01Å; S70-K74 WeakPolarHBondContact O-CD 3.25Å; S70-K74 WeakPolarHBondContact O-CG 3.34Å; S70-K74 PolarHBondContact O-N 3.34Å; S70-K74 VanDerWaalsContact O-N 3.08Å; E72-K74 PolarHBondContact O-N 3.4Å; K74-R78 VanDerWaalsContact O-CB 3.32Å; K74-R78 WeakPolarHBondContact O-CB 3.47Å; K74-R78 PolarHBondContact O-N 2.75Å
75A94.6Very high92Very high38 Ų38114.7 Ų114.731%0.31455%0.554SS.*Hα-helixtrans-64.4-43.1176.700000111.6P71 E72 R78 K79P71-A75 PolarHBondContact O-N 3.48Å; E72-A75 CarbonylContact O-C 3.55Å; E72-A75 WeakPolarHBondContact O-CA 3.44Å; E72-A75 WeakPolarHBondContact O-CB 3.31Å; E72-A75 PolarHBondContact O-N 2.72Å; A75-R78 PolarHBondContact O-N 3.27Å; A75-K79 WeakPolarHBondContact O-CG 3.33Å; A75-K79 PolarHBondContact O-N 2.97Å
76L96.6Very high93Very high120 Ų120106.2 Ų106.263%0.62853%0.531SS*.Hα-helixtrans-63.5-48175.6-177.760.8000111.7E72 E73 R78 K79 L80E72-L76 PolarHBondContact O-N 3.42Å; E73-L76 PolarHBondContact O-N 2.76Å; L76-R78 VanDerWaalsContact C-N 3.27Å; L76-R78 PolarHBondContact O-N 2.8Å; L76-K79 PolarHBondContact O-N 3.34Å; L76-L80 WeakPolarHBondContact O-CB 3.45Å; L76-L80 PolarHBondContact O-N 2.94Å
77R96.4Very high94.3Very high138 Ų138105.1 Ų105.152%0.52152%0.523SS..Hα-helixtrans-59.7-36.5174.1-71.2172-170.8-141.73.3111.9L69 E73 K81L69-R77 VanDerWaalsContact CD2-NH2 3.35Å; E73-R77 VanDerWaalsContact O-CB 3.31Å; E73-R77 WeakPolarHBondContact O-CB 3.39Å; E73-R77 WeakPolarHBondContact O-CG 3.35Å; E73-R77 PolarHBondContact O-N 2.75Å; R77-K81 WeakPolarHBondContact O-CB 3.3Å; R77-K81 WeakPolarHBondContact O-CG 3.3Å; R77-K81 PolarHBondContact O-N 2.98Å
78R97.1Very high95.3Very high191 Ų191103.3 Ų103.372%0.72151%0.512SS*.Hα-helixtrans-68.5-46.2174.3-173.1174.970.6168.11.7112K74 A75 L76 K81 N82K74-R78 VanDerWaalsContact O-CB 3.32Å; K74-R78 WeakPolarHBondContact O-CB 3.47Å; K74-R78 PolarHBondContact O-N 2.75Å; A75-R78 PolarHBondContact O-N 3.27Å; L76-R78 VanDerWaalsContact C-N 3.27Å; L76-R78 PolarHBondContact O-N 2.8Å; R78-K81 PolarHBondContact O-N 3.2Å; R78-N82 WeakPolarHBondContact O-CB 3.22Å; R78-N82 PolarHBondContact O-N 3.22Å
79K98.3Very high96.1Very high154 Ų15497.8 Ų97.867%0.6749%0.494SS*.Hα-helixtrans-56.8-48.9174.8-76.2177.4177.1-177.20110.9A75 L76 N82 R83A75-K79 WeakPolarHBondContact O-CG 3.33Å; A75-K79 PolarHBondContact O-N 2.97Å; L76-K79 PolarHBondContact O-N 3.34Å; K79-N82 PolarHBondContact O-N 2.99Å; K79-R83 WeakPolarHBondContact O-CB 3.33Å; K79-R83 PolarHBondContact O-N 3.38Å
80L98.3Very high96.7Very high87 Ų87104.2 Ų104.246%0.45552%0.516SS..Hα-helixtrans-62.2-46.9179.4-179.359.2000112.3L76 N82 R83 V84L76-L80 WeakPolarHBondContact O-CB 3.45Å; L76-L80 PolarHBondContact O-N 2.94Å; L80-N82 PolarHBondContact O-N 3.16Å; L80-R83 PolarHBondContact O-N 2.74Å; L80-V84 HydrophobicContact CD1-CG2 4.46Å; L80-V84 WeakPolarHBondContact O-CG2 3.39Å; L80-V84 PolarHBondContact O-N 3.2Å
81K98.6Very high97.1Very high166 Ų166105.5 Ų105.572%0.72252%0.52SS*.Hα-helixtrans-63-39.8176.8-76.5-170.6175.5-164.30112.8R77 R78 A85R77-K81 WeakPolarHBondContact O-CB 3.3Å; R77-K81 WeakPolarHBondContact O-CG 3.3Å; R77-K81 PolarHBondContact O-N 2.98Å; R78-K81 PolarHBondContact O-N 3.2Å; K81-A85 WeakPolarHBondContact O-CB 3.14Å; K81-A85 PolarHBondContact O-N 3.04Å
82N98.5Very high97.5Very high116 Ų116108.3 Ų108.362%0.6252%0.516SS*.Hα-helixtrans-66.8-41.8176.4-179.5-96.1000111.6R78 K79 L80 V84 A85 A86R78-N82 WeakPolarHBondContact O-CB 3.22Å; R78-N82 PolarHBondContact O-N 3.22Å; K79-N82 PolarHBondContact O-N 2.99Å; L80-N82 PolarHBondContact O-N 3.16Å; N82-V84 PolarHBondContact O-N 3.4Å; N82-A85 PolarHBondContact O-N 2.92Å; N82-A86 WeakPolarHBondContact O-CB 3.46Å; N82-A86 PolarHBondContact O-N 2.98Å
83R98.6Very high97.8Very high178 Ų178108.3 Ų108.367%0.67251%0.514SS*.Hα-helixtrans-56.9-48.4173.6-174.2179.172.6156.51.7111.9K79 L80 A86 Q87K79-R83 WeakPolarHBondContact O-CB 3.33Å; K79-R83 PolarHBondContact O-N 3.38Å; L80-R83 PolarHBondContact O-N 2.74Å; R83-A86 PolarHBondContact O-N 2.85Å; R83-Q87 PolarHBondContact O-N 2.99Å
84V98.7Very high98Very high78 Ų78112.7 Ų112.747%0.47353%0.532SS..Hα-helixtrans-64.1-46.2177.8174.40000111L80 N82 A86 Q87 T88L80-V84 HydrophobicContact CD1-CG2 4.46Å; L80-V84 WeakPolarHBondContact O-CG2 3.39Å; L80-V84 PolarHBondContact O-N 3.2Å; N82-V84 PolarHBondContact O-N 3.4Å; V84-A86 VanDerWaalsContact C-N 3.32Å; V84-A86 PolarHBondContact O-N 3.27Å; V84-Q87 PolarHBondContact O-N 3.32Å; V84-Q87 VanDerWaalsContact O-N 3.14Å; V84-T88 PolarHBondContact O-N 3.4Å; V84-T88 PolarHBondContact O-OG1 3.12Å; V84-T88 VanDerWaalsContact O-OG1 3.12Å
85A98.6Very high98.2Very high57 Ų57112.3 Ų112.347%0.47154%0.542SS..Hα-helixtrans-61.8-38.1178.600000113K81 N82 A89K81-A85 WeakPolarHBondContact O-CB 3.14Å; K81-A85 PolarHBondContact O-N 3.04Å; N82-A85 PolarHBondContact O-N 2.92Å; A85-A89 VanDerWaalsContact O-CB 3.3Å; A85-A89 WeakPolarHBondContact O-CB 3.5Å; A85-A89 PolarHBondContact O-N 3.34Å
86A98.8Very high98.4Very high39 Ų39116.5 Ų116.532%0.32255%0.553SS.*Hα-helixtrans-67.2-38174.400000112N82 R83 V84 A89 R90N82-A86 WeakPolarHBondContact O-CB 3.46Å; N82-A86 PolarHBondContact O-N 2.98Å; R83-A86 PolarHBondContact O-N 2.85Å; V84-A86 VanDerWaalsContact C-N 3.32Å; V84-A86 PolarHBondContact O-N 3.27Å; A86-A89 PolarHBondContact O-N 3.37Å; A86-R90 WeakPolarHBondContact O-CG 3.33Å; A86-R90 PolarHBondContact O-N 2.9Å; A86-R90 VanDerWaalsContact O-N 3.12Å
87Q98.8Very high98.5Very high91 Ų91115.1 Ų115.143%0.42554%0.544SS..Hα-helixtrans-64.8-55174-166.656.54300110.6R83 V84 A89 R90 D91R83-Q87 PolarHBondContact O-N 2.99Å; V84-Q87 PolarHBondContact O-N 3.32Å; V84-Q87 VanDerWaalsContact O-N 3.14Å; Q87-A89 PolarHBondContact O-N 2.89Å; Q87-A89 VanDerWaalsContact O-N 3.08Å; Q87-R90 CarbonylContact O-C 3.56Å; Q87-R90 WeakPolarHBondContact O-CA 3.29Å; Q87-R90 WeakPolarHBondContact O-CB 3.23Å; Q87-R90 PolarHBondContact O-N 3.47Å; Q87-D91 PolarHBondContact NE2-OD1 3.5Å; Q87-D91 PolarHBondContact O-N 3.19Å; Q87-D91 VanDerWaalsContact O-OD2 3.07Å
88T98.7Very high98.6Very high59 Ų59110 Ų11036%0.36253%0.534SS..Hα-helixtrans-60.7-24.3177.9-49.30000113.3V84 D91 R92V84-T88 PolarHBondContact O-N 3.4Å; V84-T88 PolarHBondContact O-OG1 3.12Å; V84-T88 VanDerWaalsContact O-OG1 3.12Å; T88-D91 WeakPolarHBondContact CA-OD2 3.22Å; T88-D91 PolarHBondContact N-OD2 2.84Å; T88-R92 WeakPolarHBondContact O-CB 3.38Å; T88-R92 VanDerWaalsContact O-CG 3.28Å; T88-R92 WeakPolarHBondContact O-CG 3.28Å; T88-R92 PolarHBondContact O-N 3.44Å; T88-R92 PolarHBondContact O-NE 3.21Å
89A98.8Very high98.7Very high48 Ų48106.2 Ų106.240%0.39753%0.525SS..Hα-helixtrans-71.1-42.4169.600000112.5A85 A86 Q87 K93A85-A89 VanDerWaalsContact O-CB 3.3Å; A85-A89 WeakPolarHBondContact O-CB 3.5Å; A85-A89 PolarHBondContact O-N 3.34Å; A86-A89 PolarHBondContact O-N 3.37Å; Q87-A89 PolarHBondContact O-N 2.89Å; Q87-A89 VanDerWaalsContact O-N 3.08Å; A89-K93 PolarHBondContact O-N 3.16Å; A89-K93 VanDerWaalsContact O-N 3.09Å
90R98.8Very high98.7Very high167 Ų167102.6 Ų102.663%0.6351%0.513SS*.Hα-helixtrans-66.2-45.5173.6-69.7169.1178156.5-3.1111.9A86 Q87 R92 K93 K94A86-R90 WeakPolarHBondContact O-CG 3.33Å; A86-R90 PolarHBondContact O-N 2.9Å; A86-R90 VanDerWaalsContact O-N 3.12Å; Q87-R90 CarbonylContact O-C 3.56Å; Q87-R90 WeakPolarHBondContact O-CA 3.29Å; Q87-R90 WeakPolarHBondContact O-CB 3.23Å; Q87-R90 PolarHBondContact O-N 3.47Å; R90-R92 VanDerWaalsContact C-N 3.33Å; R90-R92 PolarHBondContact O-N 3.19Å; R90-K93 PolarHBondContact O-N 2.93Å; R90-K93 VanDerWaalsContact O-N 3.08Å; R90-K94 PolarHBondContact O-N 2.87Å
91D98.8Very high98.7Very high75 Ų75104.1 Ų104.140%0.40152%0.517SS..Hα-helixtrans-59.8-44.6-179.5-52.2-32.7000110.5Q87 T88 K94 A95Q87-D91 PolarHBondContact NE2-OD1 3.5Å; Q87-D91 PolarHBondContact O-N 3.19Å; Q87-D91 VanDerWaalsContact O-OD2 3.07Å; T88-D91 WeakPolarHBondContact CA-OD2 3.22Å; T88-D91 PolarHBondContact N-OD2 2.84Å; D91-K94 PolarHBondContact O-N 3.03Å; D91-A95 WeakPolarHBondContact O-CB 3.27Å; D91-A95 PolarHBondContact O-N 3.32Å
92R98.8Very high98.7Very high167 Ų167101.7 Ų101.763%0.6351%0.509SS*.Hα-helixtrans-66.3-34.5174.2-73.7178.4-62.9179.65.8113.4T88 R90 K96T88-R92 WeakPolarHBondContact O-CB 3.38Å; T88-R92 VanDerWaalsContact O-CG 3.28Å; T88-R92 WeakPolarHBondContact O-CG 3.28Å; T88-R92 PolarHBondContact O-N 3.44Å; T88-R92 PolarHBondContact O-NE 3.21Å; R90-R92 VanDerWaalsContact C-N 3.33Å; R90-R92 PolarHBondContact O-N 3.19Å; R92-K96 WeakPolarHBondContact O-CB 3.45Å; R92-K96 PolarHBondContact O-N 3.03Å
93K98.8Very high98.7Very high152 Ų152100.2 Ų100.266%0.66150%0.498SS*.Hα-helixtrans-65.9-43.7172-174.7179.5176.4-176.30110.9A89 R90 K96 M97A89-K93 PolarHBondContact O-N 3.16Å; A89-K93 VanDerWaalsContact O-N 3.09Å; R90-K93 PolarHBondContact O-N 2.93Å; R90-K93 VanDerWaalsContact O-N 3.08Å; K93-K96 PolarHBondContact O-N 2.98Å; K93-M97 WeakPolarHBondContact O-CB 3.25Å; K93-M97 PolarHBondContact O-N 2.99Å
94K98.8Very high98.7Very high172 Ų17295.3 Ų95.375%0.74849%0.488SS*.Hα-helixtrans-64.5-43.7178-172.2175.6-179.51800111.4R90 D91 M97 G98R90-K94 PolarHBondContact O-N 2.87Å; D91-K94 PolarHBondContact O-N 3.03Å; K94-M97 PolarHBondContact O-N 3.07Å; K94-G98 PolarHBondContact O-N 3.31Å
95A98.7Very high98.7Very high65 Ų6595.1 Ų95.154%0.53749%0.487SS..Hα-helixtrans-60-49.7175.600000111.8D91 M97 G98 E99D91-A95 WeakPolarHBondContact O-CB 3.27Å; D91-A95 PolarHBondContact O-N 3.32Å; A95-M97 VanDerWaalsContact C-N 3.28Å; A95-M97 PolarHBondContact O-N 2.67Å; A95-G98 PolarHBondContact O-N 3.44Å; A95-E99 WeakPolarHBondContact O-CB 3.25Å; A95-E99 PolarHBondContact O-N 3.27Å
96K98.7Very high98.7Very high127 Ų12798.6 Ų98.655%0.55249%0.493SS*.Hα-helixtrans-64-32.2176.6-175.9171.7-178-176.40112.7R92 K93 L100R92-K96 WeakPolarHBondContact O-CB 3.45Å; R92-K96 PolarHBondContact O-N 3.03Å; K93-K96 PolarHBondContact O-N 2.98Å; K96-L100 HydrophobicContact CG-CD1 4.27Å; K96-L100 WeakPolarHBondContact O-CG 3.43Å; K96-L100 PolarHBondContact O-N 3.46Å; K96-L100 VanDerWaalsContact O-N 3.13Å
97M98.8Very high98.7Very high90 Ų90102 Ų10244%0.44351%0.506SS..Hα-helixtrans-66.6-50.8175.3-157.473.4112.800110.8K93 K94 A95 E99 L100 E101K93-M97 WeakPolarHBondContact O-CB 3.25Å; K93-M97 PolarHBondContact O-N 2.99Å; K94-M97 PolarHBondContact O-N 3.07Å; A95-M97 VanDerWaalsContact C-N 3.28Å; A95-M97 PolarHBondContact O-N 2.67Å; M97-E99 VanDerWaalsContact C-N 3.26Å; M97-E99 PolarHBondContact O-N 3.01Å; M97-L100 PolarHBondContact O-N 3.28Å; M97-E101 HydrophobicContact CG-CG 4.37Å; M97-E101 WeakPolarHBondContact CG-OE1 3.41Å; M97-E101 WeakPolarHBondContact O-CB 3.4Å; M97-E101 VanDerWaalsContact O-CG 3.29Å; M97-E101 WeakPolarHBondContact O-CG 3.33Å; M97-E101 PolarHBondContact O-N 2.94Å
98G98.8Very high98.7Very high30 Ų30102.6 Ų102.631%0.30951%0.508SS..Hα-helixtrans-61-32.8176.700000113.8K94 A95 E101 Q102K94-G98 PolarHBondContact O-N 3.31Å; A95-G98 PolarHBondContact O-N 3.44Å; G98-E101 WeakPolarHBondContact CA-OE2 3.46Å; G98-Q102 WeakPolarHBondContact O-CB 3.21Å; G98-Q102 PolarHBondContact O-N 2.85Å
99E98.6Very high98.7Very high112 Ų112105.2 Ų105.252%0.52352%0.519SS..Hα-helixtrans-63.6-43172.3-178.3-178.5-167.900112A95 M97 Q103A95-E99 WeakPolarHBondContact O-CB 3.25Å; A95-E99 PolarHBondContact O-N 3.27Å; M97-E99 VanDerWaalsContact C-N 3.26Å; M97-E99 PolarHBondContact O-N 3.01Å; E99-Q103 WeakPolarHBondContact O-CB 3.42Å; E99-Q103 VanDerWaalsContact O-CG 3.26Å; E99-Q103 WeakPolarHBondContact O-CG 3.49Å; E99-Q103 PolarHBondContact O-N 3.31Å
100L98.8Very high98.7Very high79 Ų79107.9 Ų107.941%0.41452%0.524SS..Hα-helixtrans-72.8-41.3176.5-69.7170.4000112.3K96 M97 Q102 Q103 V104K96-L100 HydrophobicContact CG-CD1 4.27Å; K96-L100 WeakPolarHBondContact O-CG 3.43Å; K96-L100 PolarHBondContact O-N 3.46Å; K96-L100 VanDerWaalsContact O-N 3.13Å; M97-L100 PolarHBondContact O-N 3.28Å; L100-Q102 VanDerWaalsContact C-N 3.29Å; L100-Q102 PolarHBondContact O-N 3.3Å; L100-Q103 PolarHBondContact O-N 2.86Å; L100-V104 WeakPolarHBondContact O-CG2 3.34Å; L100-V104 PolarHBondContact O-N 2.93Å
101E98.6Very high98.7Very high118 Ų118103.9 Ų103.955%0.55152%0.515SS*.Hα-helixtrans-57.6-43.6173.6-70.6161.3176.800110.4M97 G98 V104 V105M97-E101 HydrophobicContact CG-CG 4.37Å; M97-E101 WeakPolarHBondContact CG-OE1 3.41Å; M97-E101 WeakPolarHBondContact O-CB 3.4Å; M97-E101 VanDerWaalsContact O-CG 3.29Å; M97-E101 WeakPolarHBondContact O-CG 3.33Å; M97-E101 PolarHBondContact O-N 2.94Å; G98-E101 WeakPolarHBondContact CA-OE2 3.46Å; E101-V104 PolarHBondContact O-N 2.97Å; E101-V105 WeakPolarHBondContact O-CG2 3.34Å; E101-V105 PolarHBondContact O-N 3.49Å
102Q98.7Very high98.7Very high116 Ų116105.9 Ų105.954%0.54252%0.522SS..Hα-helixtrans-67.5-39.1176.3-17660.182.700113.1G98 L100 V105 E106G98-Q102 WeakPolarHBondContact O-CB 3.21Å; G98-Q102 PolarHBondContact O-N 2.85Å; L100-Q102 VanDerWaalsContact C-N 3.29Å; L100-Q102 PolarHBondContact O-N 3.3Å; Q102-V105 PolarHBondContact O-N 3.13Å; Q102-E106 WeakPolarHBondContact O-CB 3.32Å; Q102-E106 PolarHBondContact O-N 2.94Å
103Q98.7Very high98.7Very high84 Ų84104 Ų10439%0.39352%0.518SS..Hα-helixtrans-65.4-37.4176.3-77.9168.211.200112.3E99 L100 E106 L107E99-Q103 WeakPolarHBondContact O-CB 3.42Å; E99-Q103 VanDerWaalsContact O-CG 3.26Å; E99-Q103 WeakPolarHBondContact O-CG 3.49Å; E99-Q103 PolarHBondContact O-N 3.31Å; L100-Q103 PolarHBondContact O-N 2.86Å; Q103-E106 PolarHBondContact O-N 3.38Å; Q103-L107 WeakPolarHBondContact O-CB 3.33Å; Q103-L107 VanDerWaalsContact O-CG 3.27Å; Q103-L107 WeakPolarHBondContact O-CG 3.38Å; Q103-L107 PolarHBondContact O-N 2.99Å
104V98.8Very high98.7Very high75 Ų75100.9 Ų100.946%0.45551%0.508SS..Hα-helixtrans-62.4-49.9174.2169.90000110.5L100 E101 E106 L107 E108L100-V104 WeakPolarHBondContact O-CG2 3.34Å; L100-V104 PolarHBondContact O-N 2.93Å; E101-V104 PolarHBondContact O-N 2.97Å; V104-E106 VanDerWaalsContact C-N 3.31Å; V104-E106 PolarHBondContact O-N 2.67Å; V104-L107 PolarHBondContact O-N 2.9Å; V104-E108 HydrophobicContact CG1-CG 4.34Å; V104-E108 WeakPolarHBondContact CG1-OE1 3.23Å; V104-E108 WeakPolarHBondContact O-CB 3.46Å; V104-E108 WeakPolarHBondContact O-CG 3.44Å; V104-E108 PolarHBondContact O-N 2.7Å
105V98.8Very high98.7Very high75 Ų7598.2 Ų98.246%0.45550%0.498SS..Hα-helixtrans-61.8-36.9178.8173.30000112.4E101 Q102 L109E101-V105 WeakPolarHBondContact O-CG2 3.34Å; E101-V105 PolarHBondContact O-N 3.49Å; Q102-V105 PolarHBondContact O-N 3.13Å; V105-L109 PolarHBondContact O-N 3.08Å; V105-L109 VanDerWaalsContact O-N 3.09Å
106E98.7Very high98.7Very high129 Ų129100.3 Ų100.360%0.60350%0.499SS*.Hα-helixtrans-67.2-44.4176.7-173.9167-137.100111.9Q102 Q103 V104 L109 E110Q102-E106 WeakPolarHBondContact O-CB 3.32Å; Q102-E106 PolarHBondContact O-N 2.94Å; Q103-E106 PolarHBondContact O-N 3.38Å; V104-E106 VanDerWaalsContact C-N 3.31Å; V104-E106 PolarHBondContact O-N 2.67Å; E106-L109 PolarHBondContact O-N 3.38Å; E106-E110 PolarHBondContact O-N 2.85Å
107L98.7Very high98.7Very high112 Ų11299.1 Ų99.159%0.58650%0.495SS*.Hα-helixtrans-67.2-36.4175.8-72169.1000112.8Q103 V104 E110 N111Q103-L107 WeakPolarHBondContact O-CB 3.33Å; Q103-L107 VanDerWaalsContact O-CG 3.27Å; Q103-L107 WeakPolarHBondContact O-CG 3.38Å; Q103-L107 PolarHBondContact O-N 2.99Å; V104-L107 PolarHBondContact O-N 2.9Å; L107-E110 PolarHBondContact O-N 3.36Å; L107-N111 WeakPolarHBondContact O-CB 3.31Å; L107-N111 PolarHBondContact O-N 2.95Å
108E98.6Very high98.6Very high102 Ų10298.2 Ų98.248%0.47749%0.493SS..Hα-helixtrans-63.5-42173.8-75.7172.5176.200111.3V104 N111 Q112V104-E108 HydrophobicContact CG1-CG 4.34Å; V104-E108 WeakPolarHBondContact CG1-OE1 3.23Å; V104-E108 WeakPolarHBondContact O-CB 3.46Å; V104-E108 WeakPolarHBondContact O-CG 3.44Å; V104-E108 PolarHBondContact O-N 2.7Å; E108-N111 PolarHBondContact O-N 3.5Å; E108-Q112 WeakPolarHBondContact O-CB 3.4Å; E108-Q112 VanDerWaalsContact O-CG 3.26Å; E108-Q112 WeakPolarHBondContact O-CG 3.38Å; E108-Q112 PolarHBondContact O-N 2.84Å
109L98.7Very high98.6Very high114 Ų114104.7 Ų104.760%0.59751%0.508SS*.Hα-helixtrans-66-43.4175.5-109.5170.4000112.4V105 E106 Q112 K113V105-L109 PolarHBondContact O-N 3.08Å; V105-L109 VanDerWaalsContact O-N 3.09Å; E106-L109 PolarHBondContact O-N 3.38Å; L109-Q112 PolarHBondContact O-N 3.41Å; L109-K113 WeakPolarHBondContact O-CB 3.29Å; L109-K113 PolarHBondContact O-N 2.94Å
110E98.6Very high98.6Very high105 Ų105104.6 Ų104.649%0.49151%0.509SS..Hα-helixtrans-65-42.2175.8-178.8164.2-13300111.5E106 L107 K113 L114E106-E110 PolarHBondContact O-N 2.85Å; L107-E110 PolarHBondContact O-N 3.36Å; E110-K113 WeakPolarHBondContact O-CB 3.45Å; E110-K113 PolarHBondContact O-N 3.15Å; E110-L114 HydrophobicContact CG-CD1 3.96Å; E110-L114 HydrophobicContact CG-CG 4.35Å; E110-L114 WeakPolarHBondContact O-CB 3.19Å; E110-L114 VanDerWaalsContact O-CG 3.31Å; E110-L114 WeakPolarHBondContact O-CG 3.38Å; E110-L114 PolarHBondContact O-N 3.47Å
111N98.5Very high98.6Very high83 Ų83105.1 Ų105.144%0.44451%0.511SS..Hα-helixtrans-61.6-45.8176.1175.6-101.1000111.9L107 E108 K113 L114 H115L107-N111 WeakPolarHBondContact O-CB 3.31Å; L107-N111 PolarHBondContact O-N 2.95Å; E108-N111 PolarHBondContact O-N 3.5Å; N111-K113 PolarHBondContact O-N 3.22Å; N111-L114 PolarHBondContact O-N 3.28Å; N111-H115 PolarHBondContact ND2-CD2 2.91Å; N111-H115 PolarHBondContact ND2-NE2 2.96Å; N111-H115 PolarHBondContact O-CD2 3.22Å; N111-H115 PolarHBondContact O-N 3.32Å; N111-H115 PolarHBondContact OD1-CD2 2.86Å; N111-H115 VanDerWaalsContact OD1-CD2 3.26Å
112Q98.6Very high98.6Very high116 Ų116107.9 Ų107.954%0.54252%0.517SS..Hα-helixtrans-59.5-45.1174.8-73.8172.735.400111.9E108 L109 L114 H115 I116E108-Q112 WeakPolarHBondContact O-CB 3.4Å; E108-Q112 VanDerWaalsContact O-CG 3.26Å; E108-Q112 WeakPolarHBondContact O-CG 3.38Å; E108-Q112 PolarHBondContact O-N 2.84Å; L109-Q112 PolarHBondContact O-N 3.41Å; Q112-L114 PolarHBondContact O-N 3.24Å; Q112-H115 PolarHBondContact O-N 2.83Å; Q112-I116 WeakPolarHBondContact O-CG1 3.35Å; Q112-I116 PolarHBondContact O-N 3.28Å
113K98.7Very high98.6Very high127 Ų127107.3 Ų107.355%0.55251%0.514SS*.Hα-helixtrans-58.2-47.2175177.6-163.6165.4-156.50111.4L109 E110 N111 H115 I116 E117L109-K113 WeakPolarHBondContact O-CB 3.29Å; L109-K113 PolarHBondContact O-N 2.94Å; E110-K113 WeakPolarHBondContact O-CB 3.45Å; E110-K113 PolarHBondContact O-N 3.15Å; N111-K113 PolarHBondContact O-N 3.22Å; K113-H115 VanDerWaalsContact C-N 3.34Å; K113-H115 PolarHBondContact O-N 3.46Å; K113-I116 PolarHBondContact O-N 3.11Å; K113-E117 PolarHBondContact O-N 3.09Å
114L98.7Very high98.6Very high88 Ų88109.9 Ų109.946%0.46152%0.524SS..Hα-helixtrans-65.1-35178.5-71.9170.8000112.3E110 N111 Q112 E117 N118E110-L114 HydrophobicContact CG-CD1 3.96Å; E110-L114 HydrophobicContact CG-CG 4.35Å; E110-L114 WeakPolarHBondContact O-CB 3.19Å; E110-L114 VanDerWaalsContact O-CG 3.31Å; E110-L114 WeakPolarHBondContact O-CG 3.38Å; E110-L114 PolarHBondContact O-N 3.47Å; N111-L114 PolarHBondContact O-N 3.28Å; Q112-L114 PolarHBondContact O-N 3.24Å; L114-E117 PolarHBondContact O-N 2.93Å; L114-N118 VanDerWaalsContact O-CB 3.23Å; L114-N118 WeakPolarHBondContact O-CB 3.29Å; L114-N118 PolarHBondContact O-N 2.96Å
115H98.6Very high98.6Very high116 Ų116110.1 Ų110.154%0.53753%0.525SS..Hα-helixtrans-66.7-37.5173-82.2-65.3000112.8N111 Q112 K113 R119N111-H115 PolarHBondContact ND2-CD2 2.91Å; N111-H115 PolarHBondContact ND2-NE2 2.96Å; N111-H115 PolarHBondContact O-CD2 3.22Å; N111-H115 PolarHBondContact O-N 3.32Å; N111-H115 PolarHBondContact OD1-CD2 2.86Å; N111-H115 VanDerWaalsContact OD1-CD2 3.26Å; Q112-H115 PolarHBondContact O-N 2.83Å; K113-H115 VanDerWaalsContact C-N 3.34Å; K113-H115 PolarHBondContact O-N 3.46Å; H115-R119 WeakPolarHBondContact O-CB 3.24Å; H115-R119 PolarHBondContact O-N 3.36Å
116I98.7Very high98.5Very high109 Ų109109.9 Ų109.956%0.55953%0.527SS*.Hα-helixtrans-65.8-48.8173.1-66.1163.5000110Q112 K113 N118 R119 M120Q112-I116 WeakPolarHBondContact O-CG1 3.35Å; Q112-I116 PolarHBondContact O-N 3.28Å; K113-I116 PolarHBondContact O-N 3.11Å; I116-N118 PolarHBondContact O-N 3.42Å; I116-R119 WeakPolarHBondContact O-CB 3.31Å; I116-R119 PolarHBondContact O-N 2.85Å; I116-M120 HydrophobicContact CG2-CG 4.48Å; I116-M120 WeakPolarHBondContact O-CG 3.45Å; I116-M120 PolarHBondContact O-N 3.07Å
117E98.5Very high98.5Very high101 Ų101105.5 Ų105.547%0.47252%0.517SS..Hα-helixtrans-60.8-44.9178.7-173.7171.4173.300111.9K113 L114 R119 M120 L121K113-E117 PolarHBondContact O-N 3.09Å; L114-E117 PolarHBondContact O-N 2.93Å; E117-R119 VanDerWaalsContact C-N 3.31Å; E117-R119 PolarHBondContact O-N 3.04Å; E117-M120 PolarHBondContact O-N 2.89Å; E117-L121 HydrophobicContact CG-CD1 4.14Å; E117-L121 WeakPolarHBondContact O-CB 3.46Å; E117-L121 VanDerWaalsContact O-CG 3.29Å; E117-L121 WeakPolarHBondContact O-CG 3.38Å; E117-L121 PolarHBondContact O-N 3.36Å
118N98.4Very high98.5Very high72 Ų72104.5 Ų104.539%0.38551%0.511SS..Hα-helixtrans-64-35.8177-163.2-102.1000112.1L114 I116 R122L114-N118 VanDerWaalsContact O-CB 3.23Å; L114-N118 WeakPolarHBondContact O-CB 3.29Å; L114-N118 PolarHBondContact O-N 2.96Å; I116-N118 PolarHBondContact O-N 3.42Å; N118-R122 WeakPolarHBondContact O-CG 3.37Å; N118-R122 PolarHBondContact O-N 2.96Å; N118-R122 PolarHBondContact OD1-NE 3.24Å; N118-R122 PolarHBondContact OD1-NH2 2.98Å
119R98.5Very high98.4Very high166 Ų166104.9 Ų104.963%0.62652%0.516SS*.Hα-helixtrans-63.4-53172.8-173.2-167.2-61-140.9-1.3111.3H115 I116 E117 L121 R122 E123H115-R119 WeakPolarHBondContact O-CB 3.24Å; H115-R119 PolarHBondContact O-N 3.36Å; I116-R119 WeakPolarHBondContact O-CB 3.31Å; I116-R119 PolarHBondContact O-N 2.85Å; E117-R119 VanDerWaalsContact C-N 3.31Å; E117-R119 PolarHBondContact O-N 3.04Å; R119-L121 PolarHBondContact O-N 3.2Å; R119-R122 PolarHBondContact O-N 3.4Å; R119-E123 VanDerWaalsContact CD-OE1 3.29Å; R119-E123 WeakPolarHBondContact CD-OE1 3.45Å; R119-E123 HydrophobicContact CG-CG 4.44Å; R119-E123 VanDerWaalsContact CG-OE1 3.24Å; R119-E123 WeakPolarHBondContact CG-OE1 3.36Å; R119-E123 WeakPolarHBondContact O-CG 3.47Å; R119-E123 PolarHBondContact O-N 3.46Å
120M98.6Very high98.3Very high110 Ų110103.4 Ų103.454%0.54251%0.512SS..Hα-helixtrans-57.4-36.8178.4-66-57.6-52.300112.1I116 E117 K124I116-M120 HydrophobicContact CG2-CG 4.48Å; I116-M120 WeakPolarHBondContact O-CG 3.45Å; I116-M120 PolarHBondContact O-N 3.07Å; E117-M120 PolarHBondContact O-N 2.89Å; M120-K124 VanDerWaalsContact O-CB 3.31Å; M120-K124 WeakPolarHBondContact O-CB 3.44Å; M120-K124 PolarHBondContact O-N 2.84Å
121L98.6Very high98.3Very high90 Ų90103.6 Ų103.647%0.47151%0.513SS..Hα-helixtrans-69.4-40.5175-71.1171.4000112.5E117 R119 K124 T125E117-L121 HydrophobicContact CG-CD1 4.14Å; E117-L121 WeakPolarHBondContact O-CB 3.46Å; E117-L121 VanDerWaalsContact O-CG 3.29Å; E117-L121 WeakPolarHBondContact O-CG 3.38Å; E117-L121 PolarHBondContact O-N 3.36Å; R119-L121 PolarHBondContact O-N 3.2Å; L121-K124 PolarHBondContact O-N 3.32Å; L121-T125 WeakPolarHBondContact O-CB 3.46Å; L121-T125 PolarHBondContact O-N 2.94Å; L121-T125 PolarHBondContact O-OG1 3.49Å; L121-T125 VanDerWaalsContact O-OG1 3.07Å
122R98.4Very high98.1Very high175 Ų175104 Ų10466%0.6652%0.515SS*.Hα-helixtrans-63.7-45.3173.4-72.8177.6-160-143.93.6111.9N118 R119 T125 S126N118-R122 WeakPolarHBondContact O-CG 3.37Å; N118-R122 PolarHBondContact O-N 2.96Å; N118-R122 PolarHBondContact OD1-NE 3.24Å; N118-R122 PolarHBondContact OD1-NH2 2.98Å; R119-R122 PolarHBondContact O-N 3.4Å; R122-T125 PolarHBondContact O-N 2.89Å; R122-S126 WeakPolarHBondContact O-CB 3.17Å; R122-S126 PolarHBondContact O-N 3.04Å
123E98.3Very high98Very high104 Ų104103.4 Ų103.449%0.48651%0.512SS..Hα-helixtrans-59.4-46.7176.8-71.8170.6-170.900110.9R119 S126 G127R119-E123 VanDerWaalsContact CD-OE1 3.29Å; R119-E123 WeakPolarHBondContact CD-OE1 3.45Å; R119-E123 HydrophobicContact CG-CG 4.44Å; R119-E123 VanDerWaalsContact CG-OE1 3.24Å; R119-E123 WeakPolarHBondContact CG-OE1 3.36Å; R119-E123 WeakPolarHBondContact O-CG 3.47Å; R119-E123 PolarHBondContact O-N 3.46Å; E123-S126 PolarHBondContact O-N 2.99Å; E123-G127 PolarHBondContact O-N 3.47Å
124K98.5Very high97.8Very high139 Ų139101.7 Ų101.760%0.60451%0.506SS*.Hα-helixtrans-62.8-44.4175.6-175.9177.3179.1-179.50112.7M120 L121 G127 L128M120-K124 VanDerWaalsContact O-CB 3.31Å; M120-K124 WeakPolarHBondContact O-CB 3.44Å; M120-K124 PolarHBondContact O-N 2.84Å; L121-K124 PolarHBondContact O-N 3.32Å; K124-G127 PolarHBondContact O-N 3.23Å; K124-L128 HydrophobicContact CG-CD1 4.07Å; K124-L128 WeakPolarHBondContact O-CB 3.42Å; K124-L128 WeakPolarHBondContact O-CG 3.32Å; K124-L128 PolarHBondContact O-N 3.26Å
125T98.3Very high97.7Very high79 Ų79101 Ų10149%0.48550%0.503SS..Hα-helixtrans-64.3-40.7177-67.20000111.2L121 R122 L128 L129L121-T125 WeakPolarHBondContact O-CB 3.46Å; L121-T125 PolarHBondContact O-N 2.94Å; L121-T125 PolarHBondContact O-OG1 3.49Å; L121-T125 VanDerWaalsContact O-OG1 3.07Å; R122-T125 PolarHBondContact O-N 2.89Å; T125-L128 PolarHBondContact O-N 2.87Å; T125-L129 HydrophobicContact CG2-CD1 3.92Å; T125-L129 HydrophobicContact CG2-CG 4.33Å; T125-L129 WeakPolarHBondContact O-CB 3.48Å; T125-L129 VanDerWaalsContact O-CG 3.25Å; T125-L129 WeakPolarHBondContact O-CG 3.39Å; T125-L129 PolarHBondContact O-N 3.26Å
126S98.1Very high97.5Very high70 Ų7098.1 Ų98.149%0.4949%0.487SS..Hα-helixtrans-60.9-47.4175.1-173.20000111.8R122 E123 L128 L129 T130R122-S126 WeakPolarHBondContact O-CB 3.17Å; R122-S126 PolarHBondContact O-N 3.04Å; E123-S126 PolarHBondContact O-N 2.99Å; S126-L128 PolarHBondContact O-N 2.65Å; S126-L129 PolarHBondContact O-N 3.09Å; S126-T130 PolarHBondContact O-N 3.45Å; S126-T130 PolarHBondContact O-OG1 3.44Å
127G98.3Very high97.2Very high37 Ų3798.3 Ų98.338%0.38149%0.486SS..Hα-helixtrans-62.4-39.2175.600000113.8E123 K124 T130 E131E123-G127 PolarHBondContact O-N 3.47Å; K124-G127 PolarHBondContact O-N 3.23Å; G127-T130 PolarHBondContact O-OG1 3.16Å; G127-T130 VanDerWaalsContact O-OG1 3.11Å; G127-E131 WeakPolarHBondContact O-CB 3.41Å; G127-E131 PolarHBondContact O-N 2.9Å
128L98.1Very high97Very high91 Ų91101.5 Ų101.548%0.47649%0.493SS..Hα-helixtrans-70.4-31.9175-72.2171.6000112.6K124 T125 S126 N132K124-L128 HydrophobicContact CG-CD1 4.07Å; K124-L128 WeakPolarHBondContact O-CB 3.42Å; K124-L128 WeakPolarHBondContact O-CG 3.32Å; K124-L128 PolarHBondContact O-N 3.26Å; T125-L128 PolarHBondContact O-N 2.87Å; S126-L128 PolarHBondContact O-N 2.65Å; L128-N132 WeakPolarHBondContact O-CB 3.26Å; L128-N132 PolarHBondContact O-N 3.26Å
129L97.4Very high96.7Very high111 Ų111104.2 Ų104.258%0.58151%0.507SS*.Hα-helixtrans-69.5-43.5174.2-75.9169.7000111.3T125 S126 N132 E133T125-L129 HydrophobicContact CG2-CD1 3.92Å; T125-L129 HydrophobicContact CG2-CG 4.33Å; T125-L129 WeakPolarHBondContact O-CB 3.48Å; T125-L129 VanDerWaalsContact O-CG 3.25Å; T125-L129 WeakPolarHBondContact O-CG 3.39Å; T125-L129 PolarHBondContact O-N 3.26Å; S126-L129 PolarHBondContact O-N 3.09Å; L129-N132 PolarHBondContact O-N 3.46Å; L129-E133 WeakPolarHBondContact O-CB 3.34Å; L129-E133 PolarHBondContact O-N 3.24Å
130T97.1Very high96.1Very high82 Ų8298 Ų9850%0.50349%0.494SS..Hα-helixtrans-69.6-37.1177.355.20000112.4S126 G127 E133 E134S126-T130 PolarHBondContact O-N 3.45Å; S126-T130 PolarHBondContact O-OG1 3.44Å; G127-T130 PolarHBondContact O-OG1 3.16Å; G127-T130 VanDerWaalsContact O-OG1 3.11Å; T130-E133 PolarHBondContact O-N 3.47Å; T130-E134 WeakPolarHBondContact O-CB 3.27Å; T130-E134 PolarHBondContact O-N 3.46Å
131E97Very high95.4Very high110 Ų11096.7 Ų96.751%0.51449%0.489SS..Hα-helixtrans-62.3-43.6169.6-176.1-179.2-17000111.3G127 E134 L135G127-E131 WeakPolarHBondContact O-CB 3.41Å; G127-E131 PolarHBondContact O-N 2.9Å; E131-E134 PolarHBondContact O-N 3.27Å; E131-L135 HydrophobicContact CG-CD1 4.05Å; E131-L135 WeakPolarHBondContact O-CB 3.48Å; E131-L135 VanDerWaalsContact O-CG 3.25Å; E131-L135 WeakPolarHBondContact O-CG 3.41Å; E131-L135 PolarHBondContact O-N 3.47Å
132N95.6Very high94.1Very high90 Ų9094.5 Ų94.548%0.48148%0.478SS..Hα-helixtrans-64.8-42.7178.4-163.8-96.4000111.9L128 L129 L135 R136L128-N132 WeakPolarHBondContact O-CB 3.26Å; L128-N132 PolarHBondContact O-N 3.26Å; L129-N132 PolarHBondContact O-N 3.46Å; N132-L135 PolarHBondContact O-N 3.26Å; N132-R136 WeakPolarHBondContact O-CB 3.26Å; N132-R136 VanDerWaalsContact O-CG 3.22Å; N132-R136 WeakPolarHBondContact O-CG 3.5Å; N132-R136 PolarHBondContact O-N 3.02Å; N132-R136 VanDerWaalsContact OD1-CD 3.3Å; N132-R136 WeakPolarHBondContact OD1-CD 3.36Å
133E95Very high92.4Very high104 Ų10491.3 Ų91.349%0.48648%0.478SS..Hα-helixtrans-61.7-47.1174.8-163-169.4151.300110.9L129 T130 L135 R136 Q137L129-E133 WeakPolarHBondContact O-CB 3.34Å; L129-E133 PolarHBondContact O-N 3.24Å; T130-E133 PolarHBondContact O-N 3.47Å; E133-L135 VanDerWaalsContact C-N 3.31Å; E133-L135 PolarHBondContact O-N 2.88Å; E133-R136 PolarHBondContact O-N 2.96Å; E133-R136 VanDerWaalsContact O-N 3.12Å; E133-Q137 HydrophobicContact CG-CG 4.49Å; E133-Q137 WeakPolarHBondContact O-CG 3.41Å; E133-Q137 PolarHBondContact O-N 3.29Å; E133-Q137 PolarHBondContact OE1-NE2 2.92Å
134E95.1Very high90.4Very high92 Ų9292 Ų9243%0.4348%0.484SS..Hα-helixtrans-61-40.8178-155.5-154.9168.200111.7T130 E131 Q137 R138T130-E134 WeakPolarHBondContact O-CB 3.27Å; T130-E134 PolarHBondContact O-N 3.46Å; E131-E134 PolarHBondContact O-N 3.27Å; E134-Q137 PolarHBondContact O-N 2.77Å; E134-R138 VanDerWaalsContact CD-CZ 3.44Å; E134-R138 VanDerWaalsContact CD-NE 3.26Å; E134-R138 WeakPolarHBondContact O-CB 3.35Å; E134-R138 WeakPolarHBondContact O-CD 3.45Å; E134-R138 WeakPolarHBondContact O-CG 3.47Å; E134-R138 PolarHBondContact O-N 3.48Å; E134-R138 IonicContact OE1-CZ 3.92Å; E134-R138 IonicContact OE1-NE 3.88Å; E134-R138 PolarHBondContact OE1-NE 3.21Å; E134-R138 IonicContact OE1-NH2 3.42Å; E134-R138 PolarHBondContact OE1-NH2 3.19Å; E134-R138 IonicContact OE2-CZ 2.67Å; E134-R138 IonicContact OE2-NE 2.61Å; E134-R138 IonicContact OE2-NH2 2.9Å; E134-R138 PolarHBondContact OE2-NH2 2.96Å
135L96.2Very high88.5Confident73 Ų7390.4 Ų90.438%0.38248%0.479SS..Hα-helixtrans-64.7-38.7175.2-71.4171.9000112.3E131 N132 E133 R138 L139E131-L135 HydrophobicContact CG-CD1 4.05Å; E131-L135 WeakPolarHBondContact O-CB 3.48Å; E131-L135 VanDerWaalsContact O-CG 3.25Å; E131-L135 WeakPolarHBondContact O-CG 3.41Å; E131-L135 PolarHBondContact O-N 3.47Å; N132-L135 PolarHBondContact O-N 3.26Å; E133-L135 VanDerWaalsContact C-N 3.31Å; E133-L135 PolarHBondContact O-N 2.88Å; L135-R138 PolarHBondContact O-N 3.2Å; L135-L139 WeakPolarHBondContact O-CB 3.19Å; L135-L139 VanDerWaalsContact O-CG 3.22Å; L135-L139 WeakPolarHBondContact O-CG 3.3Å; L135-L139 PolarHBondContact O-N 2.94Å
136R94.4Very high86.5Confident56 Ų5689.8 Ų89.821%0.21148%0.478CS..Hα-helixtrans-67.8-39.8175.2-72.3171.45499.822.9112.3N132 E133 L139 G140 L141 D142 E145N132-R136 WeakPolarHBondContact O-CB 3.26Å; N132-R136 VanDerWaalsContact O-CG 3.22Å; N132-R136 WeakPolarHBondContact O-CG 3.5Å; N132-R136 PolarHBondContact O-N 3.02Å; N132-R136 VanDerWaalsContact OD1-CD 3.3Å; N132-R136 WeakPolarHBondContact OD1-CD 3.36Å; E133-R136 PolarHBondContact O-N 2.96Å; E133-R136 VanDerWaalsContact O-N 3.12Å; R136-L139 CarbonylContact O-C 3.41Å; R136-L139 PolarHBondContact O-N 2.86Å; R136-G140 PolarHBondContact O-N 2.95Å; R136-L141 HydrophobicContact CB-CB 4.43Å; R136-L141 HydrophobicContact CG-CD1 4.42Å; R136-L141 PolarHBondContact O-N 2.61Å; R136-D142 WeakPolarHBondContact CB-OD2 3.47Å; R136-D142 IonicContact CZ-OD1 2.97Å; R136-D142 IonicContact NE-OD1 3.14Å; R136-D142 PolarHBondContact NE-OD1 3.35Å; R136-D142 IonicContact NH2-OD1 3.66Å; R136-D142 PolarHBondContact NH2-OD1 3.25Å; R136-E145 IonicContact CZ-OE1 2.75Å; R136-E145 IonicContact CZ-OE2 2.76Å; R136-E145 IonicContact NH1-OE1 3.42Å; R136-E145 PolarHBondContact NH1-OE1 3Å; R136-E145 IonicContact NH1-OE2 3.21Å; R136-E145 IonicContact NH2-OE1 2.8Å; R136-E145 PolarHBondContact NH2-OE1 2.98Å; R136-E145 IonicContact NH2-OE2 2.75Å; R136-E145 PolarHBondContact NH2-OE2 3.31Å
137Q93.4Very high84.4Confident113 Ų11393.6 Ų93.653%0.52849%0.486SS..Hα-helixtrans-63.6-46.1174.9-70.7-179.521.400110.3E133 E134 L139 G140 D142E133-Q137 HydrophobicContact CG-CG 4.49Å; E133-Q137 WeakPolarHBondContact O-CG 3.41Å; E133-Q137 PolarHBondContact O-N 3.29Å; E133-Q137 PolarHBondContact OE1-NE2 2.92Å; E134-Q137 PolarHBondContact O-N 2.77Å; Q137-L139 PolarHBondContact O-N 3.25Å; Q137-G140 PolarHBondContact O-N 3.27Å; Q137-D142 VanDerWaalsContact CA-OD2 3.31Å; Q137-D142 WeakPolarHBondContact CA-OD2 3.39Å; Q137-D142 WeakPolarHBondContact CG-OD2 3.44Å; Q137-D142 PolarHBondContact N-OD2 2.95Å
138R93.6Very high82.2Confident167 Ų16795.6 Ų95.663%0.6349%0.491SS*.Hα-helixtrans-60.6-30.7174.3-72.1165.3175.5-162.26.5113E134 L135E134-R138 VanDerWaalsContact CD-CZ 3.44Å; E134-R138 VanDerWaalsContact CD-NE 3.26Å; E134-R138 WeakPolarHBondContact O-CB 3.35Å; E134-R138 WeakPolarHBondContact O-CD 3.45Å; E134-R138 WeakPolarHBondContact O-CG 3.47Å; E134-R138 PolarHBondContact O-N 3.48Å; E134-R138 IonicContact OE1-CZ 3.92Å; E134-R138 IonicContact OE1-NE 3.88Å; E134-R138 PolarHBondContact OE1-NE 3.21Å; E134-R138 IonicContact OE1-NH2 3.42Å; E134-R138 PolarHBondContact OE1-NH2 3.19Å; E134-R138 IonicContact OE2-CZ 2.67Å; E134-R138 IonicContact OE2-NE 2.61Å; E134-R138 IonicContact OE2-NH2 2.9Å; E134-R138 PolarHBondContact OE2-NH2 2.96Å; L135-R138 PolarHBondContact O-N 3.2Å
139L93.1Very high80.2Confident130 Ų13099.1 Ų99.168%0.68150%0.503SS*.THydrogen-bonded Turntrans-88.3-2.9174.1-68.3170.6000113.6L135 R136 Q137 L141L135-L139 WeakPolarHBondContact O-CB 3.19Å; L135-L139 VanDerWaalsContact O-CG 3.22Å; L135-L139 WeakPolarHBondContact O-CG 3.3Å; L135-L139 PolarHBondContact O-N 2.94Å; R136-L139 CarbonylContact O-C 3.41Å; R136-L139 PolarHBondContact O-N 2.86Å; Q137-L139 PolarHBondContact O-N 3.25Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 HydrophobicContact CB-CD1 4.04Å; L139-L141 HydrophobicContact CB-CG 3.9Å; L139-L141 HydrophobicContact CD1-CD1 4.25Å; L139-L141 PolarHBondContact O-N 2.87Å
140G86.3Confident78.2Confident35 Ų3598 Ų9836%0.36150%0.5SS..THydrogen-bonded Turntrans73.87.5179.100000115.8R136 Q137 D142 T143R136-G140 PolarHBondContact O-N 2.95Å; Q137-G140 PolarHBondContact O-N 3.27Å; G140-D142 VanDerWaalsContact C-N 3.33Å; G140-D142 PolarHBondContact O-N 2.86Å; G140-T143 PolarHBondContact O-N 3.49Å; G140-T143 PolarHBondContact O-OG1 3.36Å
141L83.1Confident75.8Confident82 Ų82100.8 Ų100.843%0.42951%0.507SS..THydrogen-bonded Turntrans-69-28.1-167.3-63.8175.7000113.5R136 L139 T143 L144R136-L141 HydrophobicContact CB-CB 4.43Å; R136-L141 HydrophobicContact CG-CD1 4.42Å; R136-L141 PolarHBondContact O-N 2.61Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 HydrophobicContact CB-CD1 4.04Å; L139-L141 HydrophobicContact CB-CG 3.9Å; L139-L141 HydrophobicContact CD1-CD1 4.25Å; L139-L141 PolarHBondContact O-N 2.87Å; L141-T143 PolarHBondContact O-N 3.09Å; L141-L144 VanDerWaalsContact O-CB 3.25Å; L141-L144 WeakPolarHBondContact O-CB 3.29Å; L141-L144 PolarHBondContact O-N 3.48Å
142D72.1Confident73.4Confident44 Ų44100.1 Ų100.124%0.23551%0.511CS..Hα-helixtrans-73.6-16.3-173.9-49.2-56.6000113.3R136 Q137 G140 L144 S146R136-D142 WeakPolarHBondContact CB-OD2 3.47Å; R136-D142 IonicContact CZ-OD1 2.97Å; R136-D142 IonicContact NE-OD1 3.14Å; R136-D142 PolarHBondContact NE-OD1 3.35Å; R136-D142 IonicContact NH2-OD1 3.66Å; R136-D142 PolarHBondContact NH2-OD1 3.25Å; Q137-D142 VanDerWaalsContact CA-OD2 3.31Å; Q137-D142 WeakPolarHBondContact CA-OD2 3.39Å; Q137-D142 WeakPolarHBondContact CG-OD2 3.44Å; Q137-D142 PolarHBondContact N-OD2 2.95Å; G140-D142 VanDerWaalsContact C-N 3.33Å; G140-D142 PolarHBondContact O-N 2.86Å; D142-L144 PolarHBondContact O-N 3.48Å; D142-S146 WeakPolarHBondContact O-CB 3.48Å; D142-S146 PolarHBondContact O-N 3.01Å; D142-S146 PolarHBondContact O-OG 3.45Å
143T62.1Low71.5Confident109 Ų109102.8 Ų102.867%0.66952%0.524SS*.Hα-helixtrans-66.6-14.6168.266.10000113.2G140 L141G140-T143 PolarHBondContact O-N 3.49Å; G140-T143 PolarHBondContact O-OG1 3.36Å; L141-T143 PolarHBondContact O-N 3.09Å
144L56.4Low69.4Low117 Ų117104.7 Ų104.761%0.61354%0.537SS*.Hα-helixtrans-99.8-40.1-175.9-149.1153000111.6L141 D142 T148L141-L144 VanDerWaalsContact O-CB 3.25Å; L141-L144 WeakPolarHBondContact O-CB 3.29Å; L141-L144 PolarHBondContact O-N 3.48Å; D142-L144 PolarHBondContact O-N 3.48Å; L144-T148 PolarHBondContact O-N 3.24Å; L144-T148 PolarHBondContact O-OG1 3.48Å
145E57.7Low67.2Low106 Ų106105.1 Ų105.150%0.49555%0.55SS.*Hα-helixtrans-72.7-40.6174.7-81.7-180-142.200113.4R136 K147 T148 K149R136-E145 IonicContact CZ-OE1 2.75Å; R136-E145 IonicContact CZ-OE2 2.76Å; R136-E145 IonicContact NH1-OE1 3.42Å; R136-E145 PolarHBondContact NH1-OE1 3Å; R136-E145 IonicContact NH1-OE2 3.21Å; R136-E145 IonicContact NH2-OE1 2.8Å; R136-E145 PolarHBondContact NH2-OE1 2.98Å; R136-E145 IonicContact NH2-OE2 2.75Å; R136-E145 PolarHBondContact NH2-OE2 3.31Å; E145-K147 VanDerWaalsContact C-N 3.28Å; E145-K147 PolarHBondContact O-N 3.47Å; E145-T148 WeakPolarHBondContact O-CA 3.28Å; E145-T148 WeakPolarHBondContact O-CB 3.39Å; E145-T148 PolarHBondContact O-N 2.9Å; E145-K149 PolarHBondContact O-N 3.1Å
146S57.5Low64.7Low67 Ų67108 Ų10847%0.46957%0.571SS.*Hα-helixtrans-55.9-43.7174.450.80000112D142 T148 V150D142-S146 WeakPolarHBondContact O-CB 3.48Å; D142-S146 PolarHBondContact O-N 3.01Å; D142-S146 PolarHBondContact O-OG 3.45Å; S146-T148 VanDerWaalsContact C-N 3.29Å; S146-T148 PolarHBondContact O-N 2.83Å; S146-V150 WeakPolarHBondContact O-CG2 3.38Å; S146-V150 PolarHBondContact O-N 2.83Å; S146-V150 VanDerWaalsContact O-N 3.13Å
147K53.6Low62.3Low150 Ų150108.3 Ų108.365%0.65259%0.591SS**Hα-helixtrans-62.8-35.5174.9-164.2173.9-173.5177.50112.7E145 Q151E145-K147 VanDerWaalsContact C-N 3.28Å; E145-K147 PolarHBondContact O-N 3.47Å; K147-Q151 WeakPolarHBondContact O-CB 3.19Å; K147-Q151 PolarHBondContact O-N 3.46Å
148T51.9Low59.8Low79 Ų79111.1 Ų111.149%0.48561%0.61SS.*Hα-helixtrans-70.8-46.9-179.9-54.70000111.2L144 E145 S146 V150 Q151 T152L144-T148 PolarHBondContact O-N 3.24Å; L144-T148 PolarHBondContact O-OG1 3.48Å; E145-T148 WeakPolarHBondContact O-CA 3.28Å; E145-T148 WeakPolarHBondContact O-CB 3.39Å; E145-T148 PolarHBondContact O-N 2.9Å; S146-T148 VanDerWaalsContact C-N 3.29Å; S146-T148 PolarHBondContact O-N 2.83Å; T148-V150 PolarHBondContact O-N 3.13Å; T148-Q151 PolarHBondContact O-N 2.99Å; T148-T152 PolarHBondContact O-N 2.92Å; T148-T152 PolarHBondContact O-OG1 3.04Å
149K55.6Low57.2Low165 Ų165111 Ų11172%0.71762%0.622SS**Hα-helixtrans-61.3-43.1175.1-83-174173.2-179.70112.7E145 Q151 T152 L153E145-K149 PolarHBondContact O-N 3.1Å; K149-Q151 VanDerWaalsContact C-N 3.34Å; K149-Q151 PolarHBondContact O-N 3.44Å; K149-T152 PolarHBondContact O-N 3.22Å; K149-L153 PolarHBondContact O-N 2.99Å
150V54.8Low54.6Low86 Ų86109.5 Ų109.552%0.52163%0.629SS.*Hα-helixtrans-65.4-36.7178.3171.50000111.8S146 T148 T152 L153 L154S146-V150 WeakPolarHBondContact O-CG2 3.38Å; S146-V150 PolarHBondContact O-N 2.83Å; S146-V150 VanDerWaalsContact O-N 3.13Å; T148-V150 PolarHBondContact O-N 3.13Å; V150-T152 PolarHBondContact O-N 3.26Å; V150-L153 PolarHBondContact O-N 2.68Å; V150-L154 HydrophobicContact CG1-CD1 3.75Å; V150-L154 WeakPolarHBondContact O-CG 3.39Å; V150-L154 PolarHBondContact O-N 2.97Å
151Q47.1Very low52.3Low141 Ų141111.2 Ų111.266%0.65965%0.646SS**Hα-helixtrans-68.6-32178.2-172.1162.9-0.500112.9K147 T148 K149K147-Q151 WeakPolarHBondContact O-CB 3.19Å; K147-Q151 PolarHBondContact O-N 3.46Å; T148-Q151 PolarHBondContact O-N 2.99Å; K149-Q151 VanDerWaalsContact C-N 3.34Å; K149-Q151 PolarHBondContact O-N 3.44Å
152T46.4Very low50.4Low97 Ų97116.2 Ų116.260%0.59567%0.672SS**Hα-helixtrans-66-45.4174.6-56.20000112.2T148 K149 V150 L154 S155T148-T152 PolarHBondContact O-N 2.92Å; T148-T152 PolarHBondContact O-OG1 3.04Å; K149-T152 PolarHBondContact O-N 3.22Å; V150-T152 PolarHBondContact O-N 3.26Å; T152-L154 VanDerWaalsContact C-N 3.32Å; T152-L154 PolarHBondContact O-N 3.43Å; T152-S155 PolarHBondContact O-N 3.07Å
153L56.3Low48.6Very low145 Ų145117.7 Ų117.776%0.75970%0.698SS**Hα-helixtrans-71.1-24-176.5-67177.4000113.9K149 V150K149-L153 PolarHBondContact O-N 2.99Å; V150-L153 PolarHBondContact O-N 2.68Å
154L50.5Low47.8Very low144 Ų144119.5 Ų119.575%0.75471%0.709SS**THydrogen-bonded Turntrans-86.2-1.8-178.5-69.6172000114.4V150 T152V150-L154 HydrophobicContact CG1-CD1 3.75Å; V150-L154 WeakPolarHBondContact O-CG 3.39Å; V150-L154 PolarHBondContact O-N 2.97Å; T152-L154 VanDerWaalsContact C-N 3.32Å; T152-L154 PolarHBondContact O-N 3.43Å
155S48.5Very low46.7Very low102 Ų102117.1 Ų117.171%0.71371%0.712SS**THydrogen-bonded Turntrans-97.9-5.5-176.5-164.20000114.9T152T152-S155 PolarHBondContact O-N 3.07Å
156T45.2Very low45.9Very low134 Ų134117.4 Ų117.482%0.82273%0.726SS**SBendtrans-112.376.1-176.8-52.80000110.3
157G42.7Very low45.3Very low61 Ų61120.2 Ų120.263%0.62975%0.746SS**  trans-170.5104.3178.300000113.7
158N41.4Very low44.8Very low172 Ų172122 Ų12292%0.9276%0.756SS**  trans140.699.3153.1-73.5-20.9000111.9
159D39.4Very low44.3Very low164 Ų164124.4 Ų124.488%0.87778%0.776SS**  -169.4158.6105.1-159.45000110.4
160A38.7Very low43.3Very low100 Ų100121.2 Ų121.283%0.82678%0.781SS**  trans59.9150.3-178.300000116.6
161G38.2Very low42.4Very low70 Ų70121.7 Ų121.772%0.72279%0.794SS**  cis-167.1154.8-5.600000111.4G163G161-G163 PolarHBondContact O-N 3.3Å
162L42.4Very low42.3Very low187 Ų187121.5 Ų121.598%0.97981%0.805SS**  trans-69.6122.4-176.9-67.3162.5000111.5
163G35.3Very low41.8Very low76 Ų76120.7 Ų120.778%0.78482%0.816SS**  trans-139.886179.100000112.8G161G161-G163 PolarHBondContact O-N 3.3Å
164V43.7Very low40.8Very low147 Ų147119.3 Ų119.389%0.89183%0.826SS**  trans-91.2127176.5172.50000110.6
165G34.8Very low40.1Very low67 Ų67115.7 Ų115.769%0.69182%0.823SS**  trans172.1108172.700000108.8
166S40Very low39.8Very low111 Ų111117.6 Ų117.678%0.77683%0.832SS**  cis64.476.214.5-157.60000113.8
167S44.7Very low39.3Very low127 Ų127115.6 Ų115.689%0.88883%0.83SS**  trans-154.2127.4150.1-78.80000109.2
168E42.7Very low39.3Very low186 Ų186119.3 Ų119.387%0.86984%0.84SS**  trans-83.6153.9171.765.8-149.7106.900111.2
169S41.1Very low39.4Very low130 Ų130116.6 Ų116.691%0.90983%0.832SS**  trans176.1173.5146.937.60000110
170A36.3Very low39.3Very low99 Ų99118.3 Ų118.382%0.81883%0.831SS**  trans-141.8176.6-156.600000115.1
171A35.4Very low39.1Very low95 Ų95118.4 Ų118.479%0.78583%0.826SS**  trans86.2140.4164.700000118
172P44.9Very low39Very low137 Ų137123 Ų12389%0.8983%0.828SS**  trans-89.3151.4-179.636.1-35.3000113.1
173G35.3Very low39.1Very low81 Ų81121.9 Ų121.984%0.83582%0.824SS**  trans-145.3136.6174.500000111.6
174A35.8Very low39.1Very low116 Ų116126.8 Ų126.896%0.95982%0.824SS**  trans-85153.3-169.800000114.4
175G35Very low39.4Very low67 Ų67124.9 Ų124.969%0.69182%0.817SS**  trans118.4104.5156.800000115.6A177G175-A177 PolarHBondContact O-N 3.18Å
176P43.2Very low40Very low142 Ų142129.2 Ų129.292%0.92282%0.821SS**  trans-79118.2170.231.3-31.5000110.8
177A33.7Very low40.1Very low92 Ų92131 Ų13176%0.7682%0.822SS**  trans-121.2129.7168.500000109.2G175 P179G175-A177 PolarHBondContact O-N 3.18Å; A177-P179 WeakPolarHBondContact O-CD 3.34Å
178V43.6Very low39.9Very low140 Ų140129.7 Ų129.785%0.84881%0.809SS**PPolyproline II helixtrans-80.6125.4-171.1175.60000111.9
179P43.4Very low40.2Very low115 Ų115128.8 Ų128.875%0.74781%0.81SS**PPolyproline II helixtrans-92.9151.5150.935.7-30.2000110.9A177A177-P179 WeakPolarHBondContact O-CD 3.34Å
180K36.2Very low40.2Very low199 Ų199128.2 Ų128.287%0.86581%0.805SS**PPolyproline II helixtrans-92147.7166-69.5178.4175.3-178.90110
181S35.5Very low40.8Very low103 Ų103130.6 Ų130.672%0.7280%0.803SS**  trans-131.6122.3149.949.70000105.4
182E35.4Very low41.5Very low165 Ų165132.4 Ų132.477%0.77180%0.799SS**  64.4118.862.7-63.9-166.4138.500111.8F184E182-F184 PolarHBondContact O-N 3.29Å
183D45.6Very low41.7Very low164 Ų164130.7 Ų130.788%0.87779%0.79SS**  trans-65.2124.3-174.3-65-74.8000111.9
184F35.2Very low42.5Very low179 Ų179131.2 Ų131.279%0.78578%0.778SS**  trans-123.4107.1160.2-80.6-83.9000109.4E182 M186E182-F184 PolarHBondContact O-N 3.29Å; F184-M186 PolarHBondContact O-N 3.32Å
185S49.8Very low43.4Very low108 Ų108129.9 Ų129.976%0.75576%0.755SS**  trans-70.9121.4161.9172.60000108.5
186M48.1Very low44.4Very low157 Ų157132.8 Ų132.877%0.77375%0.754SS**  trans-131.9110.4155-81.5-153.876.300108.5F184 T188F184-M186 PolarHBondContact O-N 3.32Å; M186-T188 WeakPolarHBondContact CE-OG1 3.41Å
187D41.2Very low45.5Very low150 Ų150133 Ų13380%0.80274%0.743SS**  trans-63.7127.3149-63.6-62.3000107.6
188T41.4Very low47Very low98 Ų98131.3 Ų131.360%0.60173%0.725SS**  trans-152.7104.5165.7-50.70000108.7M186 C190M186-T188 WeakPolarHBondContact CE-OG1 3.41Å; T188-C190 PolarHBondContact O-N 3.16Å
189D49.2Very low48.7Very low168 Ų168129.8 Ų129.890%0.89871%0.712SS**  trans-61.3116.6170.5-56.5-82.4000109.7
190C39.6Very low50.6Low118 Ų118130 Ų13080%0.79771%0.707SS**  trans-141.398.1171-164.50000109.2T188T188-C190 PolarHBondContact O-N 3.16Å
191L50Low52.7Low148 Ų148125.5 Ų125.578%0.77569%0.692SS**  trans-81.8157.3172.3-79.1161.8000110.7
192D50.2Low54.7Low134 Ų134125.4 Ų125.472%0.71768%0.682SS**  trans57.380.3155.5-48.3-12.5000117
193S48.8Very low56.9Low100 Ų100119.1 Ų119.170%0.69966%0.662SS**  trans-143.6-9.2164.4-173.40000115.5
194T50.9Low58.6Low92 Ų92115.3 Ų115.356%0.56464%0.641SS**SBendtrans-89.5-20.9-175.637.20000114.5N196 E197T194-N196 PolarHBondContact O-N 3.33Å; T194-E197 WeakPolarHBondContact O-CG 3.4Å; T194-E197 PolarHBondContact O-N 3.36Å
195D55.3Low60.7Low89 Ų89111.5 Ų111.548%0.47663%0.628SS.*Hα-helixtrans-70.3-26.8-166.9-59.513.5000111.9E197 S198 D199D195-E197 VanDerWaalsContact C-N 3.31Å; D195-E197 PolarHBondContact O-N 2.97Å; D195-S198 WeakPolarHBondContact CA-OG 3.38Å; D195-S198 PolarHBondContact O-N 3.09Å; D195-S198 PolarHBondContact O-OG 3.08Å; D195-D199 PolarHBondContact O-N 3.26Å
196N55.9Low62Low127 Ų127113.7 Ų113.768%0.67963%0.631SS**Hα-helixtrans-63.8-28.3-179.8-622.5000113.9T194 L200T194-N196 PolarHBondContact O-N 3.33Å; N196-L200 PolarHBondContact O-N 2.92Å
197E65.6Low63.7Low148 Ų148112.9 Ų112.969%0.69263%0.629SS**Hα-helixtrans-82.3-32.8177.150.4172.6-135.700112.3T194 D195 L201T194-E197 WeakPolarHBondContact O-CG 3.4Å; T194-E197 PolarHBondContact O-N 3.36Å; D195-E197 VanDerWaalsContact C-N 3.31Å; D195-E197 PolarHBondContact O-N 2.97Å; E197-L201 PolarHBondContact O-N 3.48Å
198S65.9Low65.6Low56 Ų56110 Ų11039%0.39261%0.613SS.*Hα-helixtrans-64.8-44.6168.929.20000112.4D195 L200 L201 L202D195-S198 WeakPolarHBondContact CA-OG 3.38Å; D195-S198 PolarHBondContact O-N 3.09Å; D195-S198 PolarHBondContact O-OG 3.08Å; S198-L200 VanDerWaalsContact C-N 3.33Å; S198-L200 PolarHBondContact O-N 2.84Å; S198-L201 PolarHBondContact O-N 3.32Å; S198-L201 VanDerWaalsContact O-N 3.16Å; S198-L202 WeakPolarHBondContact O-CB 3.32Å; S198-L202 VanDerWaalsContact O-CG 3.3Å; S198-L202 WeakPolarHBondContact O-CG 3.43Å; S198-L202 PolarHBondContact O-N 2.88Å
199D79.1Confident67.4Low107 Ų107108.6 Ų108.657%0.57260%0.602SS**Hα-helixtrans-63.1-38-179.7-81.81.6000112.4D195 G203D195-D199 PolarHBondContact O-N 3.26Å; D199-G203 PolarHBondContact O-N 3.28Å
200L84.1Confident68.5Low120 Ų120105.1 Ų105.163%0.62859%0.589SS**Hα-helixtrans-64.7-41.8173.9179.160000111.9N196 S198 G203 I204N196-L200 PolarHBondContact O-N 2.92Å; S198-L200 VanDerWaalsContact C-N 3.33Å; S198-L200 PolarHBondContact O-N 2.84Å; L200-G203 PolarHBondContact O-N 2.91Å; L200-I204 HydrophobicContact CD1-CD1 4.32Å; L200-I204 HydrophobicContact CG-CD1 4.21Å; L200-I204 WeakPolarHBondContact O-CD1 3.39Å; L200-I204 VanDerWaalsContact O-CG1 3.29Å; L200-I204 WeakPolarHBondContact O-CG1 3.43Å; L200-I204 PolarHBondContact O-N 3.08Å
201L80.3Confident69.7Low105 Ų105104.6 Ų104.655%0.5557%0.574SS.*Hα-helixtrans-69-38.7178.6-177.159.8000112.1E197 S198 I204 L205E197-L201 PolarHBondContact O-N 3.48Å; S198-L201 PolarHBondContact O-N 3.32Å; S198-L201 VanDerWaalsContact O-N 3.16Å; L201-I204 PolarHBondContact O-N 3.3Å; L201-L205 HydrophobicContact CG-CD1 4.44Å; L201-L205 WeakPolarHBondContact O-CG 3.35Å; L201-L205 PolarHBondContact O-N 3.06Å
202L77.8Confident70.5Confident100 Ų100102.3 Ų102.352%0.52456%0.562SS.*Hα-helixtrans-63-45.7173.2-71.5166.9000111.1S198 I204 L205 D206S198-L202 WeakPolarHBondContact O-CB 3.32Å; S198-L202 VanDerWaalsContact O-CG 3.3Å; S198-L202 WeakPolarHBondContact O-CG 3.43Å; S198-L202 PolarHBondContact O-N 2.88Å; L202-I204 VanDerWaalsContact C-N 3.26Å; L202-I204 PolarHBondContact O-N 2.82Å; L202-L205 PolarHBondContact O-N 2.99Å; L202-D206 PolarHBondContact O-N 2.85Å
203G80.7Confident71.1Confident34 Ų34102.3 Ų102.335%0.35156%0.556SS.*Hα-helixtrans-61.9-30.4174.900000113.9D199 L200 I207D199-G203 PolarHBondContact O-N 3.28Å; L200-G203 PolarHBondContact O-N 2.91Å; G203-I207 VanDerWaalsContact O-CD1 3.23Å; G203-I207 WeakPolarHBondContact O-CD1 3.32Å; G203-I207 VanDerWaalsContact O-CG1 3.28Å; G203-I207 WeakPolarHBondContact O-CG1 3.47Å
204I81.9Confident71.6Confident83 Ų83103.5 Ų103.543%0.42655%0.554SS.*Hα-helixtrans-71.4-40.1171.7-70.6163.4000111L200 L201 L202 I207 L208L200-I204 HydrophobicContact CD1-CD1 4.32Å; L200-I204 HydrophobicContact CG-CD1 4.21Å; L200-I204 WeakPolarHBondContact O-CD1 3.39Å; L200-I204 VanDerWaalsContact O-CG1 3.29Å; L200-I204 WeakPolarHBondContact O-CG1 3.43Å; L200-I204 PolarHBondContact O-N 3.08Å; L201-I204 PolarHBondContact O-N 3.3Å; L202-I204 VanDerWaalsContact C-N 3.26Å; L202-I204 PolarHBondContact O-N 2.82Å; I204-I207 PolarHBondContact O-N 3.1Å; I204-L208 HydrophobicContact CG2-CD1 4.29Å; I204-L208 WeakPolarHBondContact O-CG 3.4Å
205L78.1Confident71.8Confident100 Ų100103.8 Ų103.852%0.52455%0.547SS..Hα-helixtrans-66-39.7179-73164.9000112.5L201 L202 I207 L208L201-L205 HydrophobicContact CG-CD1 4.44Å; L201-L205 WeakPolarHBondContact O-CG 3.35Å; L201-L205 PolarHBondContact O-N 3.06Å; L202-L205 PolarHBondContact O-N 2.99Å; L205-I207 PolarHBondContact O-N 3.41Å; L205-L208 PolarHBondContact O-N 3.45Å; L205-L208 VanDerWaalsContact O-N 3.15Å
206D78Confident71.6Confident153 Ų153104.2 Ų104.282%0.81856%0.557SS**THydrogen-bonded Turntrans-64.9-18176.1-87.7-0.5000113.7L202L202-D206 PolarHBondContact O-N 2.85Å
207I83.3Confident71Confident141 Ų141103.7 Ų103.772%0.72356%0.562SS**THydrogen-bonded Turntrans-89.9-14.8178-65.7167.6000111.9G203 I204 L205 D209G203-I207 VanDerWaalsContact O-CD1 3.23Å; G203-I207 WeakPolarHBondContact O-CD1 3.32Å; G203-I207 VanDerWaalsContact O-CG1 3.28Å; G203-I207 WeakPolarHBondContact O-CG1 3.47Å; I204-I207 PolarHBondContact O-N 3.1Å; L205-I207 PolarHBondContact O-N 3.41Å; I207-D209 PolarHBondContact O-N 3.4Å
208L81.8Confident70.2Confident88 Ų88104.8 Ų104.846%0.46157%0.568SS.*  trans-91.694.9-174.4-71.1172.4000112.5I204 L205 P210 F213I204-L208 HydrophobicContact CG2-CD1 4.29Å; I204-L208 WeakPolarHBondContact O-CG 3.4Å; L205-L208 PolarHBondContact O-N 3.45Å; L205-L208 VanDerWaalsContact O-N 3.15Å; L208-P210 WeakPolarHBondContact O-CD 3.46Å; L208-F213 HydrophobicContact CB-CE2 4.4Å; L208-F213 HydrophobicContact CD2-CE2 4.16Å; L208-F213 HydrophobicContact CD2-CZ 4.15Å
209D79.1Confident69.5Low69 Ų69110.1 Ų110.137%0.36959%0.586SS.*  trans-62117.3168.8171.814000111I207 E211 L212I207-D209 PolarHBondContact O-N 3.4Å; D209-E211 PolarHBondContact O-N 3.41Å; D209-E211 PolarHBondContact OD1-N 2.73Å; D209-L212 HydrophobicContact CB-CD1 4Å; D209-L212 HydrophobicContact CB-CG 3.94Å; D209-L212 PolarHBondContact O-N 2.87Å
210P71.8Confident67.4Low96 Ų96113.8 Ų113.862%0.62360%0.6SS**Hα-helixtrans-64.8-22.7-179.927.3-35.3000113.5L208 L212 F213L208-P210 WeakPolarHBondContact O-CD 3.46Å; P210-L212 VanDerWaalsContact C-N 3.31Å; P210-L212 PolarHBondContact O-N 3.46Å; P210-F213 PolarHBondContact O-N 3.46Å
211E66.2Low64.8Low106 Ų106114 Ų11450%0.49561%0.61SS.*Hα-helixtrans-72.7-23.3177.7-66.9-161.5178.400113D209 F213 L214 K215D209-E211 PolarHBondContact O-N 3.41Å; D209-E211 PolarHBondContact OD1-N 2.73Å; E211-F213 VanDerWaalsContact C-N 3.29Å; E211-F213 PolarHBondContact O-N 3.31Å; E211-L214 PolarHBondContact O-N 3.01Å; E211-K215 HydrophobicContact CB-CD 4.43Å; E211-K215 WeakPolarHBondContact O-CB 2.86Å; E211-K215 WeakPolarHBondContact O-CD 3.44Å; E211-K215 WeakPolarHBondContact O-CG 3.21Å; E211-K215 PolarHBondContact O-N 3.14Å; E211-K215 WeakPolarHBondContact OE2-CE 3.38Å; E211-K215 IonicContact OE2-NZ 3.18Å; E211-K215 PolarHBondContact OE2-NZ 3.48Å
212L66.6Low62.8Low100 Ų100114.2 Ų114.252%0.52462%0.618SS.*Hα-helixtrans-65.9-34176.3-63179000111.6D209 P210 S216D209-L212 HydrophobicContact CB-CD1 4Å; D209-L212 HydrophobicContact CB-CG 3.94Å; D209-L212 PolarHBondContact O-N 2.87Å; P210-L212 VanDerWaalsContact C-N 3.31Å; P210-L212 PolarHBondContact O-N 3.46Å; L212-S216 WeakPolarHBondContact O-CB 3.39Å; L212-S216 PolarHBondContact O-N 3.38Å; L212-S216 VanDerWaalsContact O-N 3.09Å; L212-S216 PolarHBondContact O-OG 2.82Å
213F62.9Low60.8Low135 Ų135116.4 Ų116.459%0.59263%0.625SS**Hα-helixtrans-68-35.7175.5-70.4-87.1000112.3L208 P210 E211L208-F213 HydrophobicContact CB-CE2 4.4Å; L208-F213 HydrophobicContact CD2-CE2 4.16Å; L208-F213 HydrophobicContact CD2-CZ 4.15Å; P210-F213 PolarHBondContact O-N 3.46Å; E211-F213 VanDerWaalsContact C-N 3.29Å; E211-F213 PolarHBondContact O-N 3.31Å
214L58.7Low58.7Low124 Ų124120.7 Ų120.765%0.64965%0.647SS**Hα-helixtrans-72.5-50.2177.2-64.9173.9000111.4E211 S216 C217E211-L214 PolarHBondContact O-N 3.01Å; L214-S216 PolarHBondContact O-N 3.12Å; L214-C217 WeakPolarHBondContact O-CB 3.43Å; L214-C217 PolarHBondContact O-N 3.41Å
215K55.3Low56.5Low99 Ų99123.8 Ų123.843%0.4366%0.66SS.*Hα-helixtrans-58.7-34.6178.3-71.7160.3-174.6156.40112.4E211 C217 E218E211-K215 HydrophobicContact CB-CD 4.43Å; E211-K215 WeakPolarHBondContact O-CB 2.86Å; E211-K215 WeakPolarHBondContact O-CD 3.44Å; E211-K215 WeakPolarHBondContact O-CG 3.21Å; E211-K215 PolarHBondContact O-N 3.14Å; E211-K215 WeakPolarHBondContact OE2-CE 3.38Å; E211-K215 IonicContact OE2-NZ 3.18Å; E211-K215 PolarHBondContact OE2-NZ 3.48Å; K215-C217 PolarHBondContact O-N 2.87Å; K215-E218 PolarHBondContact O-N 3.08Å
216S51Low54.6Low98 Ų98125.1 Ų125.169%0.68567%0.672SS**THydrogen-bonded Turntrans-64.5-16.4175.3-58.20000114.3L212 L214L212-S216 WeakPolarHBondContact O-CB 3.39Å; L212-S216 PolarHBondContact O-N 3.38Å; L212-S216 VanDerWaalsContact O-N 3.09Å; L212-S216 PolarHBondContact O-OG 2.82Å; L214-S216 PolarHBondContact O-N 3.12Å
217C43.6Very low52.5Low116 Ų116124.9 Ų124.978%0.78467%0.669SS**THydrogen-bonded Turntrans-91.9-13.6178.1-163.10000113.3L214 K215L214-C217 WeakPolarHBondContact O-CB 3.43Å; L214-C217 PolarHBondContact O-N 3.41Å; K215-C217 PolarHBondContact O-N 2.87Å
218E48.4Very low50.1Low171 Ų171125.2 Ų125.280%0.79967%0.672SS**THydrogen-bonded Turntrans-98.4-10-174.8-62.2-171.313700113.5K215K215-E218 PolarHBondContact O-N 3.08Å
219Q50.4Low47.8Very low167 Ų167127.6 Ų127.678%0.7869%0.69SS**SBendtrans-116.851.3-163.5-158.3166.720.800116.1
220E36.7Very low45.6Very low184 Ų184127.9 Ų127.986%0.8671%0.709SS**  trans-164.7112.5138.9-118.8-172.6136.300114.2
221C28.1Very low43.8Very low125 Ų125126.7 Ų126.785%0.84571%0.714SS**  trans-158.892.4152.7-166.50000109.7E223C221-E223 PolarHBondContact O-N 2.94Å
222P38.6Very low42Very low109 Ų109131.4 Ų131.471%0.70874%0.737SS**  trans-76.1114.8-176.428.2-33000112.2P224P222-P224 WeakPolarHBondContact O-CD 3.31Å
223E35.6Very low40.7Very low146 Ų146135.5 Ų135.568%0.68275%0.752SS**  trans-69120.3173.6-170.5-167.7152.900111.3C221 Q225C221-E223 PolarHBondContact O-N 2.94Å; E223-Q225 HydrophobicContact CG-CG 4.41Å; E223-Q225 PolarHBondContact O-N 2.96Å; E223-Q225 VanDerWaalsContact O-N 3.16Å; E223-Q225 PolarHBondContact OE1-NE2 3.12Å
224P37.9Very low40.2Very low125 Ų125134.2 Ų134.281%0.81276%0.758SS**  trans-88.782.7-173.134.3-34.9000113P222 V226P222-P224 WeakPolarHBondContact O-CD 3.31Å; P224-V226 PolarHBondContact O-N 2.89Å
225Q35.1Very low39.2Very low148 Ų148135 Ų13569%0.69277%0.767SS**  trans-86.2103.8173.8-67.1-162.21900113.7E223E223-Q225 HydrophobicContact CG-CG 4.41Å; E223-Q225 PolarHBondContact O-N 2.96Å; E223-Q225 VanDerWaalsContact O-N 3.16Å; E223-Q225 PolarHBondContact OE1-NE2 3.12Å
226V38Very low38.8Very low128 Ų128136 Ų13678%0.77678%0.784SS**  trans53.4121.3140.4-168.40000119.9P224P224-V226 PolarHBondContact O-N 2.89Å
227L34.2Very low38Very low147 Ų147136.2 Ų136.277%0.7779%0.791SS**  158.5133.3115.4-166.779.2000111.7
228L33.2Very low38.2Very low149 Ų149135.2 Ų135.278%0.7879%0.792SS**  170.7136.8126.6-93.8169000114.3
229V33.2Very low38.3Very low138 Ų138132.8 Ų132.884%0.83679%0.791SS**  trans61.3134.8160.8-175.90000118
230G33.3Very low38.4Very low74 Ų74130.7 Ų130.776%0.76379%0.792SS**  trans-132.6163165.800000111.4
231G32.8Very low39.1Very low72 Ų72126.3 Ų126.374%0.74279%0.787SS**  trans168.1108.7177.200000115
232E28.7Very low40.2Very low205 Ų205126.3 Ų126.396%0.95879%0.785SS**  trans73.3167.5152-48.4-163.9133.100119.9
233H38.1Very low40.5Very low185 Ų185129.7 Ų129.786%0.85680%0.797SS**  trans-130-176.8-157.4-95.1-58.3000110.4
234P52.7Low40.8Very low109 Ų109126.6 Ų126.671%0.70880%0.804SS**  cis-132.3-175.2-48.239.9-24.3000111.5
235V37.3Very low41.3Very low139 Ų139125.3 Ų125.384%0.84280%0.804SS**  trans173.3149141.5142.50000110
236P47.2Very low42.2Very low121 Ų121124.2 Ų124.279%0.78681%0.809SS**  trans-112.1165.6-150.240.3-33.2000117.1
237A35.7Very low42.7Very low102 Ų102123.1 Ų123.184%0.84381%0.808SS**  trans-121.5155159.200000110.3
238A47.1Very low43.4Very low95 Ų95123 Ų12379%0.78581%0.812SS**PPolyproline II helixtrans-82.5152.5-167.200000114.6
239P51.3Low44.1Very low121 Ų121124.7 Ų124.779%0.78681%0.813SS**PPolyproline II helixtrans-83.3147-176.233.2-35.8000113.8
240P52.3Low45Very low123 Ų123126.6 Ų126.680%0.79982%0.818SS**PPolyproline II helixtrans-76.4154.3164.932.9-33.9000111.8
241A50.4Low46Very low91 Ų91131.2 Ų131.275%0.75282%0.82SS**PPolyproline II helixtrans-78.6150.7179.800000112.8
242P50.6Low46.8Very low126 Ų126131.3 Ų131.382%0.81881%0.806SS**PPolyproline II helixtrans-83.9120.3-172.832-34.4000113.2
243L45.2Very low47.7Very low180 Ų180130.1 Ų130.194%0.94281%0.805SS**  trans-142.1122.9166.2-72.7177000110.3
244G42.9Very low48.6Very low81 Ų81127.8 Ų127.884%0.83580%0.799SS**SBendtrans103.1132.9177.400000113.9
245A48.4Very low49Very low98 Ų98130.1 Ų130.181%0.8180%0.801SS**PPolyproline II helixtrans-78.3142.3169.200000109.8
246P53.1Low49.9Very low124 Ų124131.4 Ų131.481%0.80580%0.802SS**PPolyproline II helixtrans-67.6134.7177.228.4-34000110.5V248P246-V248 PolarHBondContact O-N 3.43Å
247S48.7Very low50.3Low106 Ų106131.6 Ų131.674%0.74180%0.795SS**PPolyproline II helixtrans-65.5123.5169.552.10000109.6K249S247-K249 PolarHBondContact O-N 3.22Å; S247-K249 VanDerWaalsContact O-N 3.16Å
248V49.8Very low51.1Low143 Ų143134.9 Ų134.987%0.86779%0.793SS**PPolyproline II helixtrans-53.6121.1170177.10000107.8P246P246-V248 PolarHBondContact O-N 3.43Å
249K48.3Very low51.3Low185 Ų185140.2 Ų140.280%0.80480%0.799SS**PPolyproline II helixtrans-72.6155.9178.8-77.3-176.5174.6-179.20109.9S247 E251S247-K249 PolarHBondContact O-N 3.22Å; S247-K249 VanDerWaalsContact O-N 3.16Å; K249-E251 PolarHBondContact O-N 2.8Å
250L52Low51.4Low179 Ų179142.2 Ų142.294%0.93780%0.802SS**  trans-67.997.6-179.8-63.8166.2000110T252L250-T252 PolarHBondContact O-N 3.44Å
251E53Low51.5Low170 Ų170144.7 Ų144.779%0.79480%0.803SS**  trans-68.4120.5161.1-145.2101.5-120.500107.4K249K249-E251 PolarHBondContact O-N 2.8Å
252T49.6Very low51.5Low75 Ų75146.6 Ų146.646%0.4680%0.799SS.*  trans28.8104160.443.60000118.7L250 N254 E255L250-T252 PolarHBondContact O-N 3.44Å; T252-N254 PolarHBondContact O-N 3.47Å; T252-E255 PolarHBondContact O-N 3.17Å; T252-E255 PolarHBondContact OG1-OE1 2.9Å
253L47.3Very low51.2Low180 Ų180151.9 Ų151.994%0.94280%0.804SS**THydrogen-bonded Turntrans-56.5-1.1165.8-174.7136.4000114.6
254N57.9Low51.4Low136 Ų136148.8 Ų148.873%0.72779%0.793SS**THydrogen-bonded Turntrans-94.6-15.9-178.4-152.127.4000113.6T252 L256T252-N254 PolarHBondContact O-N 3.47Å; N254-L256 VanDerWaalsContact C-N 3.35Å; N254-L256 PolarHBondContact O-N 3.34Å
255E61.4Low51.6Low158 Ų158153.7 Ų153.774%0.73879%0.792SS**THydrogen-bonded Turntrans-885-175.8-70.5-170.3-162.100114.7T252T252-E255 PolarHBondContact O-N 3.17Å; T252-E255 PolarHBondContact OG1-OE1 2.9Å
256L55.6Low51.6Low166 Ų166154.3 Ų154.387%0.86979%0.787SS**THydrogen-bonded Turntrans-104.422.8178.1-145.275.9000114.1N254N254-L256 VanDerWaalsContact C-N 3.35Å; N254-L256 PolarHBondContact O-N 3.34Å
257I56.1Low51.3Low125 Ų125154.8 Ų154.864%0.64179%0.787SS**  trans-131.292.3172.6-54.6178.4000109.4
258H53Low51.2Low171 Ų171158.2 Ų158.279%0.79279%0.792SS**  trans-175.5157.3141.8-86.6-36.4000110.4
259F51.2Low50.7Low207 Ų207159.8 Ų159.891%0.90879%0.79SS**  trans93.671.1-178.4-59.4-64000118
260D52.5Low49.9Very low162 Ų162157 Ų15787%0.86679%0.788SS**  trans-147.851.3143-135.9-8.8000111.5
261H55.1Low48.9Very low175 Ų175153.4 Ų153.481%0.8178%0.778SS**  trans-113.9104.5175.6-75.7166.5000111.5
262I50.5Low48Very low132 Ų132151 Ų15168%0.67778%0.78SS**  trans59.1102.9149.1-49.3170.7000116.8T264I262-T264 HydrophobicContact CG2-CG2 4.15Å
263Y44.2Very low47.3Very low236 Ų236156 Ų15693%0.92580%0.798SS**  trans-119.483.2141.9-99.7-76.9000109.9K265Y263-K265 PolarHBondContact O-N 3.22Å
264T48.4Very low46.6Very low115 Ų115156 Ų15671%0.70679%0.793SS**  trans-65.3108.1158.941.40000108.2I262I262-T264 HydrophobicContact CG2-CG2 4.15Å
265K48.4Very low45.4Very low185 Ų185155.5 Ų155.580%0.80480%0.799SS**  trans-62.4127.8172-68.9-173.4175.5-1720109.3Y263Y263-K265 PolarHBondContact O-N 3.22Å
266P47.6Very low43.9Very low110 Ų110153.3 Ų153.371%0.71480%0.801SS**  trans-62.6140.6159.728.8-32.5000108.6
267V46.4Very low42.8Very low134 Ų134152.5 Ų152.581%0.81280%0.798SS**  trans-98.3105.2169.9174.70000106.8
268E47.6Very low41.8Very low179 Ų179153.5 Ų153.584%0.83680%0.803SS**  trans-116.7111164.9-70.3-172.6156.900108.4
269E39.2Very low41Very low175 Ų175154 Ų15482%0.81881%0.806SS**  trans-63.9148146-57.8172.3149.400106
270V31.5Very low40.1Very low128 Ų128150.1 Ų150.178%0.77681%0.805SS**  cis-153.617146-1520000109.7
271S30.2Very low39.1Very low103 Ų103145.2 Ų145.272%0.7279%0.792SS**  trans27.3135.3149.663.40000120.2
272S34.2Very low37.9Very low119 Ų119141.8 Ų141.883%0.83279%0.788SS**  cis-158.4177.146.751.60000113.7
273E34.3Very low36.9Very low181 Ų181141.9 Ų141.985%0.84679%0.79SS**  trans-91.9161.9-172-58.7175.610700113.7
274Q33.6Very low36.6Very low178 Ų178137.9 Ų137.983%0.83278%0.78SS**  trans72.8109.1146.5-154.9154.192.500118.4
275C32.1Very low35.7Very low127 Ų127137 Ų13786%0.85878%0.779SS**  trans-68.6129.7155.3174.20000109.2
276S29.8Very low35Very low111 Ų111134.8 Ų134.878%0.77678%0.775SS**  trans-118.2143.2169.151.20000110.5
277D32.3Very low34.4Very low150 Ų150138.3 Ų138.380%0.80278%0.782SS**  trans-135.8171.5172.3-163.8-6000106.6
278L36.1Very low33.7Very low145 Ų145136 Ų13676%0.75978%0.778SS**  trans86.1100.3-174.7-50.2179.9000117.3
279E36.2Very low33.1Very low182 Ų182132 Ų13285%0.8577%0.769SS**  57.1139.7126.7-66.4-160.8105.600124.2
280S32.6Very low32.7Very low125 Ų125132.9 Ų132.987%0.87477%0.771SS**  trans93.7129.3140.7-159.50000119.6
281G30.9Very low32.6Very low59 Ų59132.4 Ų132.461%0.60877%0.768SS**  trans120.575.9136.900000118.3
282S29.6Very low32.4Very low103 Ų103134.7 Ų134.772%0.7277%0.772SS**  trans46.5139134.860.30000122.1
283N30.7Very low32.2Very low134 Ų134133 Ų13372%0.71777%0.766SS**  trans72.5159.8148.6-6923.5000117.6
284E36.7Very low31.9Very low152 Ų152130.5 Ų130.571%0.7176%0.762SS**  cis-164152.4-21.653.6-160.797.500109.2
285S30.4Very low31.9Very low98 Ų98127.8 Ų127.869%0.68576%0.758SS**  trans61.3169.9164-72.30000117.9
286D32.9Very low31.8Very low138 Ų138128.4 Ų128.474%0.73876%0.757SS**  cis-147.9132.2-24.6-98.5-34.1000106.1
287E35.2Very low31.7Very low183 Ų183129.5 Ų129.586%0.85576%0.759SS**  83.7151.3101-142.3-151-166.600116.6
288A32.6Very low31.7Very low87 Ų87125.8 Ų125.872%0.71976%0.756SS**  trans75149.7164.400000121
289S34.6Very low31.6Very low93 Ų93127.8 Ų127.865%0.6576%0.761SS**  cis177.9114.3-29.2159.80000112.2
290F30Very low31.4Very low195 Ų195127.2 Ų127.286%0.85576%0.759SS**  trans52.9177.8151.9-68.7-87.8000118
291T28.8Very low31.5Very low117 Ų117127.2 Ų127.272%0.71875%0.753SS**  cis-148.4141.7-1440000105.1
292D27.7Very low31.5Very low151 Ų151130.4 Ų130.481%0.80776%0.761SS**  66.8146.781.3-159.425.9000117.6
293A29.7Very low31.6Very low84 Ų84132.5 Ų132.569%0.69476%0.764SS**  trans64.7162.517600000118.8
294V27.4Very low31.9Very low129 Ų129132.3 Ų132.378%0.78277%0.767SS**  cis164.5120.7-43.4148.20000109.2
295V32.6Very low32.1Very low121 Ų121132.5 Ų132.573%0.73377%0.766SS**  trans61.4116.5156.9175.70000122.4V297V295-V297 HydrophobicContact CG1-CG2 4.21Å
296V30.4Very low32.3Very low140 Ų140134.2 Ų134.285%0.84877%0.767SS**  trans-158.3119.1140.61770000104.7
297V28.7Very low32.3Very low134 Ų134135.6 Ų135.681%0.81277%0.769SS**  91.5122.451.9173.20000114.3V295V295-V297 HydrophobicContact CG1-CG2 4.21Å
298G31.4Very low32.9Very low71 Ų71131.6 Ų131.673%0.73276%0.759SS**  trans113.2134.4177.800000113.4
299E35.1Very low33.2Very low187 Ų187136.1 Ų136.187%0.87477%0.765SS**  cis-145.7157.22.6-66.6-179.413000112.5
300E31.1Very low33.4Very low171 Ų171140.6 Ų140.680%0.79978%0.776SS**  trans26.3107.8148.4-121.4150.2138.300120.6
301T34.9Very low33.7Very low124 Ų124137.8 Ų137.876%0.76177%0.774SS**  56.1151.186.472.50000116.6
302V30.8Very low33.9Very low126 Ų126137.7 Ų137.776%0.76477%0.774SS**  cis-147161.424.6-1750000111.9
303D32.7Very low34.3Very low148 Ų148137.7 Ų137.779%0.79177%0.772SS**  trans-64.2-177169-46.2-103.8000115.6
304V36.7Very low34.8Very low129 Ų129138.6 Ų138.678%0.78277%0.771SS**  cis-156.6159.1590.70000114
305K40.8Very low34.9Very low156 Ų156138.2 Ų138.268%0.67877%0.769SS**  trans-29.9144.9159.8179.6-172.6172-71.10119.7
306D34.2Very low34.8Very low135 Ų135137 Ų13772%0.72277%0.765SS**  176.1162.4113.1-109.7-46.6000116.9
307E33.4Very low34.8Very low167 Ų167136.8 Ų136.878%0.7876%0.759SS**  trans-103.3-173.8173.2-121.1-159.4115.500110.4
308P47.3Very low35Very low98 Ų98136.2 Ų136.264%0.63676%0.756SS**  cis-144.3-174.517.943.6-22.5000118.7
309E38.9Very low34.9Very low183 Ų183139 Ų13986%0.85576%0.759SS**  trans76.4164.2144-86172.3-173.500123.9
310E39.5Very low34.8Very low187 Ų187134.8 Ų134.887%0.87475%0.75SS**  trans-92.1169.3-161-50.8-177.111100116.1
311V35.7Very low34.9Very low135 Ų135135.5 Ų135.582%0.81875%0.753SS**  179.3123.1128144.50000114.9
312V33.2Very low34.8Very low116 Ų116135.5 Ų135.570%0.70375%0.753SS**  trans39113.9143.1-162.70000123.3
313I34.9Very low34.9Very low150 Ų150136.8 Ų136.877%0.76976%0.755SS**  14.8134.8128.5-26.2168.4000116.8
314P41.9Very low34.9Very low104 Ų104131.9 Ų131.968%0.67574%0.739SS**  -164.3160.170.545.3-22.1000123.6
315T29Very low35.3Very low120 Ų120132 Ų13274%0.73674%0.743SS**  trans71.5135.4138.847.20000125.2
316C31.1Very low35.1Very low96 Ų96134 Ų13465%0.64975%0.752SS**  trans82.5107.7133-74.30000123.2
317N30.3Very low35.8Very low136 Ų136133.8 Ų133.873%0.72776%0.758SS**  86.7130113.2-69.32.7000123.8
318T31.2Very low35.6Very low121 Ų121129.1 Ų129.174%0.74276%0.755SS**  trans78.8105.9134.551.20000123.6
319V29.7Very low34.8Very low131 Ų131130.7 Ų130.779%0.79476%0.763SS**  60.4130.5124.5-170.10000120.9
320S34.1Very low34.3Very low98 Ų98127.3 Ų127.369%0.68576%0.759SS**  trans134.9121.1148.7-60.60000110.6
321Q33.1Very low34.2Very low185 Ų185123.9 Ų123.986%0.86476%0.756SS**  66.4124.263.7-172.4177.181.200110.3
322V32.8Very low34.7Very low125 Ų125123.4 Ų123.476%0.75876%0.756SS**  cis-147.8175.22677.20000108.7
323D33.4Very low34.7Very low152 Ų152122.7 Ų122.781%0.81376%0.762SS**  cis-156.3-173.48.9-158.21.2000111.1
324G30.8Very low34.8Very low45 Ų45123.8 Ų123.846%0.46477%0.768SS.*  trans-159-179.116500000113.7
325P45.7Very low34.1Very low133 Ų133122.1 Ų122.186%0.86477%0.77SS**  trans-121.8141.1167.314.77.4000115.3
326F36.2Very low34.1Very low197 Ų197122.4 Ų122.486%0.86477%0.772SS**  trans-92.8-164.8179.4-72.6-84000111.2
327P50.8Low34.2Very low130 Ų130125 Ų12584%0.84478%0.779SS**  cis-143.71693.142-22.2000119.8
328G28.6Very low34.3Very low69 Ų69125.2 Ų125.271%0.71178%0.775SS**  trans139.1132.1153.700000114.6
329T29.5Very low34.4Very low131 Ų131126.3 Ų126.380%0.80477%0.77SS**  cis-153.6134.2-2.448.10000113
330S29.2Very low34.6Very low113 Ų113128 Ų12879%0.7977%0.769SS**  trans50.6110.6148.561.60000122.8
331S36.7Very low34.6Very low115 Ų115127.6 Ų127.680%0.80477%0.771SS**  trans-81.4168.4135.4-44.90000110.5
332P46Very low34.7Very low125 Ų125124.2 Ų124.281%0.81277%0.767SS**  -153.2176104.631.5-10.1000114.8
333A33.7Very low34.9Very low100 Ų100126.3 Ų126.383%0.82677%0.773SS**  cis-167.2177.7-23.700000111.3
334L36.8Very low35.5Very low173 Ų173123.2 Ų123.291%0.90677%0.768SS**  trans-68.9162.1177.9-79.9146.5000116.6
335G28Very low35.8Very low70 Ų70128.7 Ų128.772%0.72279%0.787SS**  trans-161.6100.7147.700000108.7
336T28.3Very low35.6Very low125 Ų125129.2 Ų129.277%0.76779%0.788SS**  87.6101.968.1-63.40000113.2
337L33.4Very low36.1Very low151 Ų151129.9 Ų129.979%0.79179%0.786SS**  trans57.2113.3145-155.284.2000119.5
338E32.7Very low36.3Very low140 Ų140128.8 Ų128.865%0.65478%0.782SS**  178.2154.7104.2-96.4-162.4-159.600114.7
339K34.1Very low37.6Very low144 Ų144131.7 Ų131.763%0.62678%0.781SS**  trans50.5118.9152.9-70.8-169.3178.484.70123
340E32.4Very low38.4Very low167 Ų167130 Ų13078%0.7878%0.775SS**  71126.1121-63.9173.5161.900122.1
341A35.4Very low39.7Very low89 Ų89128 Ų12874%0.73677%0.772SS**  trans79.6123.4131.900000121.5
342C34.9Very low40.2Very low114 Ų114133.1 Ų133.177%0.7778%0.775SS**  trans80.1116133.3-72.90000121.2
343L37Very low40.7Very low170 Ų170135.2 Ų135.289%0.8977%0.774SS**  trans78.8144.5142.9-58.6170.8000117.7
344A45.2Very low41.4Very low86 Ų86141.6 Ų141.671%0.71178%0.776SS**  trans-83.3150.5167.500000109.4
345D36.6Very low42.2Very low161 Ų161138.4 Ų138.486%0.86177%0.769SS**  trans-170.196.3135.6-95.9-25.4000108.9Y347D345-Y347 PolarHBondContact O-N 2.85Å
346T42.8Very low43.5Very low144 Ų144140.9 Ų140.988%0.88377%0.772SS**  trans-80.472.917451.20000110.1S348T346-S348 PolarHBondContact O-N 3.34Å
347Y46.2Very low44.5Very low211 Ų211138.5 Ų138.583%0.82776%0.761SS**  trans-69.290.9176.1-163.1-88000110.4D345 D349D345-Y347 PolarHBondContact O-N 2.85Å; Y347-D349 HydrophobicContact CD1-CB 4.29Å; Y347-D349 HydrophobicContact CE1-CB 4.18Å; Y347-D349 PolarHBondContact O-N 2.76Å; Y347-D349 VanDerWaalsContact O-N 3.16Å
348S54Low45.5Very low107 Ų107136.9 Ų136.975%0.74876%0.759SS**  trans-87.280.5-179.8-159.20000110.5T346 S350T346-S348 PolarHBondContact O-N 3.34Å; S348-S350 PolarHBondContact O-N 2.75Å; S348-S350 VanDerWaalsContact O-N 3.08Å; S348-S350 PolarHBondContact O-OG 2.9Å
349D56.8Low46.3Very low130 Ų130137.6 Ų137.670%0.69576%0.76SS**  trans-59.7110.5171.6179.911.6000110.3Y347 G351Y347-D349 HydrophobicContact CD1-CB 4.29Å; Y347-D349 HydrophobicContact CE1-CB 4.18Å; Y347-D349 PolarHBondContact O-N 2.76Å; Y347-D349 VanDerWaalsContact O-N 3.16Å; D349-G351 PolarHBondContact OD1-N 2.65Å
350S45.5Very low46.8Very low96 Ų96135.9 Ų135.967%0.67177%0.767SS**  trans-128.569.1172.945.10000108.7S348 Y352S348-S350 PolarHBondContact O-N 2.75Å; S348-S350 VanDerWaalsContact O-N 3.08Å; S348-S350 PolarHBondContact O-OG 2.9Å; S350-Y352 PolarHBondContact O-N 3.34Å
351G57.4Low47.7Very low70 Ų70135.1 Ų135.172%0.72277%0.768SS**  trans-56.971.6179.400000115.6D349 E353D349-G351 PolarHBondContact OD1-N 2.65Å; G351-E353 PolarHBondContact O-N 2.93Å
352Y46.3Very low48.1Very low222 Ų222138.2 Ų138.287%0.87177%0.769SS**  trans-93.580.8167.9-117.2-80.7000109.5S350 R354S350-Y352 PolarHBondContact O-N 3.34Å; Y352-R354 PolarHBondContact O-N 3.48Å
353E56.6Low48.5Very low170 Ų170138.1 Ų138.179%0.79477%0.77SS**  trans-50.6121.7166-88.2-68177.900110G351 S355G351-E353 PolarHBondContact O-N 2.93Å; E353-S355 PolarHBondContact O-N 3.42Å
354R49.4Very low48.8Very low233 Ų233134.6 Ų134.688%0.87976%0.759SS**  trans-83.683.2-169.2-166.2-176.6-167.897.2-2.1110.1Y352 P356Y352-R354 PolarHBondContact O-N 3.48Å; R354-P356 VanDerWaalsContact O-N 3.12Å
355S53.7Low48.9Very low107 Ų107136.4 Ų136.475%0.74876%0.763SS**  trans-36.1114.9174.2-630000112.1E353 S357E353-S355 PolarHBondContact O-N 3.42Å; S355-S357 PolarHBondContact O-N 3.07Å
356P53.8Low49.3Very low122 Ų122133.8 Ų133.879%0.79275%0.749SS**  trans-64.8130.6-18025-33000110R354R354-P356 VanDerWaalsContact O-N 3.12Å
357S50.3Low49.2Very low75 Ų75131.7 Ų131.752%0.52474%0.739SS.*  trans-67.7129.8-177.5-177.40000110.5S355 F359 S360S355-S357 PolarHBondContact O-N 3.07Å; S357-F359 PolarHBondContact O-N 3.03Å; S357-S360 PolarHBondContact O-N 2.75Å; S357-S360 VanDerWaalsContact O-N 3.13Å
358P54.9Low49.3Very low116 Ų116127.5 Ų127.575%0.75374%0.74SS**THydrogen-bonded Turntrans-71.613.1-173.631.3-37.7000114.7
359F48.4Very low49.2Very low156 Ų156131.3 Ų131.368%0.68475%0.746SS**THydrogen-bonded Turntrans-118.10.5177-63.8-75.1000113.3S357 D361S357-F359 PolarHBondContact O-N 3.03Å; F359-D361 PolarHBondContact O-N 3.41Å
360S44.9Very low48.9Very low108 Ų108128.7 Ų128.776%0.75574%0.738SS**THydrogen-bonded Turntrans-72.5-5-176.2-161.80000114.8S357S357-S360 PolarHBondContact O-N 2.75Å; S357-S360 VanDerWaalsContact O-N 3.13Å
361D50.6Low49.4Very low151 Ų151127.9 Ų127.981%0.80773%0.733SS**THydrogen-bonded Turntrans-119.722.8-172.4-147.918.9000112.3F359 S363F359-D361 PolarHBondContact O-N 3.41Å; D361-S363 PolarHBondContact O-N 3.25Å
362M45.5Very low49.4Very low154 Ų154134.8 Ų134.876%0.75974%0.737SS**  trans-91.292170.4-73.4-7116900109.1S364M362-S364 PolarHBondContact O-N 3.32Å
363S42.6Very low50.1Low112 Ų112130.1 Ų130.178%0.78373%0.727SS**  trans-54.8126.1173.3-47.50000110.5D361D361-S363 PolarHBondContact O-N 3.25Å
364S43.7Very low50.3Low96 Ų96127.2 Ų127.267%0.67172%0.717SS**  trans-56.5128.3177.6-640000110.7M362 L366M362-S364 PolarHBondContact O-N 3.32Å; S364-L366 PolarHBondContact O-N 3.16Å
365P47.1Very low51.3Low123 Ų123122.3 Ų122.380%0.79971%0.706SS**SBendtrans-72.58.9176.932-36.9000113.2C367P365-C367 VanDerWaalsContact C-N 3.29Å; P365-C367 PolarHBondContact O-N 2.99Å
366L44.2Very low52Low106 Ų106123.6 Ų123.656%0.55570%0.698SS**  trans-82.772.8179.4-56-176.7000109.9S364 S368 W372S364-L366 PolarHBondContact O-N 3.16Å; L366-S368 PolarHBondContact O-N 3.38Å; L366-W372 HydrophobicContact CD2-CZ2 3.73Å
367C41.7Very low52.8Low100 Ų100119.6 Ų119.668%0.67668%0.675SS**  trans-59.7117.8161.7-720000108.5P365 H369P365-C367 VanDerWaalsContact C-N 3.29Å; P365-C367 PolarHBondContact O-N 2.99Å; C367-H369 PolarHBondContact O-N 3.29Å
368S48.3Very low53.7Low123 Ų123118.6 Ų118.686%0.8667%0.668SS**THydrogen-bonded Turntrans-70.538-170.3-47.30000115.4L366L366-S368 PolarHBondContact O-N 3.38Å
369H51.9Low54.6Low187 Ų187121 Ų12187%0.86667%0.67SS**THydrogen-bonded Turntrans-152.1-0-177.4-132.8-62.8000117.2C367C367-H369 PolarHBondContact O-N 3.29Å
370S51Low55.8Low76 Ų76118 Ų11853%0.53166%0.66SS.*  trans-105.3121.5174.254.50000111.5
371S54.4Low57.3Low79 Ų79118.5 Ų118.555%0.55265%0.649SS**  trans-64.8137.7173.4-176.50000111.1D373 D374S371-D373 PolarHBondContact O-N 3.08Å; S371-D374 PolarHBondContact O-N 3.27Å
372W58.2Low58.2Low214 Ų214115.1 Ų115.181%0.81164%0.635SS**Hα-helixtrans-62.6-26.4179.1-80.582.6000113.6L366 D374 F376L366-W372 HydrophobicContact CD2-CZ2 3.73Å; W372-D374 VanDerWaalsContact C-N 3.33Å; W372-D374 PolarHBondContact O-N 3.21Å; W372-F376 PolarHBondContact O-N 2.87Å
373D60.2Low59.3Low125 Ų125116.5 Ų116.567%0.66864%0.64SS**Hα-helixtrans-63.3-36177.6-82-42.8000112.7S371 F376 A377S371-D373 PolarHBondContact O-N 3.08Å; D373-F376 PolarHBondContact O-N 3.27Å; D373-A377 WeakPolarHBondContact O-CB 3.46Å; D373-A377 PolarHBondContact O-N 2.81Å
374D61.8Low60.3Low108 Ų108117.7 Ų117.758%0.57864%0.637SS**Hα-helixtrans-72.3-38.7-169.2-164.231.4000111.9S371 W372 S378S371-D374 PolarHBondContact O-N 3.27Å; W372-D374 VanDerWaalsContact C-N 3.33Å; W372-D374 PolarHBondContact O-N 3.21Å; D374-S378 VanDerWaalsContact O-CB 3.27Å; D374-S378 WeakPolarHBondContact O-CB 3.19Å; D374-S378 PolarHBondContact O-N 3.16Å; D374-S378 PolarHBondContact O-OG 3.03Å
375M70.4Confident61.4Low131 Ų131117.3 Ų117.365%0.64563%0.626SS**Hα-helixtrans-64.5-42.4169.7-78.1-178.160.500112.1S378 E379M375-S378 PolarHBondContact O-OG 2.89Å; M375-E379 WeakPolarHBondContact O-CB 3.4Å; M375-E379 PolarHBondContact O-N 2.93Å; M375-E379 VanDerWaalsContact O-N 3.09Å
376F67.8Low62Low134 Ų134116.5 Ų116.559%0.58862%0.623SS**Hα-helixtrans-68.1-39.7-178.1-168.9-95.7000112.1W372 D373 L380W372-F376 PolarHBondContact O-N 2.87Å; D373-F376 PolarHBondContact O-N 3.27Å; F376-L380 HydrophobicContact CD1-CD1 4.12Å; F376-L380 HydrophobicContact CD2-CD1 3.88Å; F376-L380 HydrophobicContact CE1-CD1 3.75Å; F376-L380 HydrophobicContact CE2-CD1 3.48Å; F376-L380 VanDerWaalsContact CE2-CD1 3.48Å; F376-L380 HydrophobicContact CG-CD1 4.19Å; F376-L380 HydrophobicContact CZ-CD1 3.41Å; F376-L380 VanDerWaalsContact CZ-CD1 3.41Å; F376-L380 WeakPolarHBondContact O-CB 3.49Å; F376-L380 PolarHBondContact O-N 3.48Å
377A70.4Confident62.2Low37 Ų37121.3 Ų121.331%0.30666%0.657SS.*Hα-helixtrans-67.8-45.7175.300000112D373 F381 I385D373-A377 WeakPolarHBondContact O-CB 3.46Å; D373-A377 PolarHBondContact O-N 2.81Å; A377-F381 CarbonylContact O-C 3.3Å; A377-F381 VanDerWaalsContact O-C 3.3Å; A377-F381 WeakPolarHBondContact O-CA 3.35Å; A377-F381 PolarHBondContact O-N 2.98Å; A377-I385 HydrophobicContact CB-CD1 4.16Å
378S69.9Low63.2Low55 Ų55122.4 Ų122.439%0.38566%0.656SS.*Hα-helixtrans-72.2-34.9-174.956.70000114.1D374 M375D374-S378 VanDerWaalsContact O-CB 3.27Å; D374-S378 WeakPolarHBondContact O-CB 3.19Å; D374-S378 PolarHBondContact O-N 3.16Å; D374-S378 PolarHBondContact O-OG 3.03Å; M375-S378 PolarHBondContact O-OG 2.89Å
379E73.8Confident64Low167 Ų167122.3 Ų122.378%0.7865%0.645SS**Hα-helixtrans-78.7-32.9178.7-166.5171-141.700112.9M375M375-E379 WeakPolarHBondContact O-CB 3.4Å; M375-E379 PolarHBondContact O-N 2.93Å; M375-E379 VanDerWaalsContact O-N 3.09Å
380L73.9Confident64.6Low93 Ų93118.7 Ų118.749%0.48763%0.633SS.*Hα-helixtrans-99.2-30.9-175.8-62176.3000114.5F376 P382F376-L380 HydrophobicContact CD1-CD1 4.12Å; F376-L380 HydrophobicContact CD2-CD1 3.88Å; F376-L380 HydrophobicContact CE1-CD1 3.75Å; F376-L380 HydrophobicContact CE2-CD1 3.48Å; F376-L380 VanDerWaalsContact CE2-CD1 3.48Å; F376-L380 HydrophobicContact CG-CD1 4.19Å; F376-L380 HydrophobicContact CZ-CD1 3.41Å; F376-L380 VanDerWaalsContact CZ-CD1 3.41Å; F376-L380 WeakPolarHBondContact O-CB 3.49Å; F376-L380 PolarHBondContact O-N 3.48Å; L380-P382 VanDerWaalsContact C-CD 3.48Å
381F76.3Confident65.4Low117 Ų117121.2 Ų121.251%0.51364%0.638SS.*  trans-134.251.4-173.7-56.4-74.6000113.4A377 Q383 L384A377-F381 CarbonylContact O-C 3.3Å; A377-F381 VanDerWaalsContact O-C 3.3Å; A377-F381 WeakPolarHBondContact O-CA 3.35Å; A377-F381 PolarHBondContact O-N 2.98Å; F381-Q383 PolarHBondContact O-N 2.75Å; F381-L384 PolarHBondContact O-N 3.18Å
382P70Confident66.1Low81 Ų81123.9 Ų123.953%0.52664%0.644SS.*THydrogen-bonded Turntrans-59.8-14.8-176.724.8-35.6000114.7L380L380-P382 VanDerWaalsContact C-CD 3.48Å
383Q69Low66.7Low182 Ų182117.9 Ų117.985%0.8563%0.633SS**THydrogen-bonded Turntrans-78.8-14175.2-64-178.14.300114.1F381F381-Q383 PolarHBondContact O-N 2.75Å
384L62.7Low67.1Low138 Ų138117.4 Ų117.472%0.72363%0.63SS**SBendtrans-86-13.4177.9-98.367.8000113.6F381F381-L384 PolarHBondContact O-N 3.18Å
385I65.8Low67.5Low87 Ų87118.1 Ų118.145%0.44663%0.634SS.*SBendtrans-100.4-6.6-169.3-47.7179.7000111.7A377A377-I385 HydrophobicContact CB-CD1 4.16Å
386S61.3Low67.3Low106 Ų106117 Ų11774%0.74163%0.633SS**  trans-101.488175.2-65.60000111.6
387V46.7Very low67.2Low207 Ų207115.5 Ų115.5100%1.25564%0.637SS**  trans-1350167.1-179.80000108.9

Retrieved 387 of 387 residues in 283.3 ms (Link to these results)